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Important: 1) The first line must be the column names/lables. They must have the exactly same names as those listed below. 2) Use "spaces" instead of "tabs" when formatting files in the SHIFTY format. 3) Use 0 when chemical shift is missing 4) Shift table should include all residues, even those that are completely unassigned. Again, use 0 for missing shifts. 5) There should be no empty lines in the file. 6) If you upload a Shifty file, the file should be create by an editor that use "/n" as the new line character. Any Linux editor should produce such a file. |
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Below is an example of Shifty-formatted assignment of N-terminal J Domain of Murine Polyomavirus T Antigens (you can also find an example of this file here): |
#NUM AA HA CA CB CO N HN 1 M 4.05 54.91 32.83 172.14 0.00 0.00 2 D 4.64 54.42 41.39 175.10 0.00 0.00 3 R 4.33 55.97 30.99 174.82 121.91 8.36 4 V 4.31 60.10 34.32 176.08 118.71 7.99 5 L 4.56 54.92 42.56 177.30 125.27 9.13 6 S 4.51 56.92 65.24 174.45 122.00 9.37 7 R 3.78 60.08 29.41 178.10 122.02 8.79 8 A 4.02 54.77 18.01 180.26 121.13 8.25 9 D 4.44 56.85 41.59 177.70 120.84 7.88 10 K 3.66 59.98 31.95 177.65 120.80 8.03 11 E 3.79 58.89 29.12 179.19 116.89 7.65 12 R 4.16 57.16 29.37 177.42 121.03 8.15 13 L 4.13 58.25 40.62 177.97 121.24 8.73 14 L 3.90 58.89 41.16 178.55 118.20 8.13 15 E 4.03 59.22 29.59 178.53 119.45 7.95 16 L 4.07 57.27 43.54 178.15 121.05 8.54 17 L 3.91 55.11 41.91 174.55 115.25 8.16 18 K 3.78 56.41 29.15 175.45 114.79 7.74 19 L 4.84 51.05 45.05 174.10 118.77 7.54 20 P 4.52 61.97 32.31 177.64 0.00 0.00 21 R 3.91 59.28 29.81 178.33 121.11 8.52 22 Q 4.22 58.11 27.65 176.33 117.78 8.89 23 L 4.44 54.14 41.68 175.67 119.43 7.87 24 W 4.04 59.44 29.04 176.86 119.14 7.63 25 G 3.55 44.40 0.00 172.75 114.31 6.67 26 D 4.69 52.51 39.43 175.04 122.15 7.78 27 F 3.99 62.70 39.60 176.97 128.00 8.48 28 G 3.92 47.21 0.00 177.21 105.84 8.83 29 R 4.15 57.69 29.37 180.07 121.81 7.99 30 M 3.77 59.98 33.48 176.33 121.06 8.79 31 Q 3.63 59.07 28.75 177.86 119.63 8.99 32 Q 3.97 58.68 28.40 177.99 119.88 7.67 33 A 4.21 54.68 18.88 178.62 122.73 7.65 34 Y 3.41 61.49 36.72 177.69 121.69 8.49 35 K 3.41 59.44 31.75 178.44 121.80 8.09 36 Q 3.99 58.55 28.53 178.89 117.51 7.69 37 Q 3.98 57.38 27.79 177.94 117.32 8.89 38 S 3.77 62.14 62.03 175.43 114.66 8.13 39 L 4.08 56.95 42.02 178.56 120.01 6.73 40 L 4.07 56.26 41.96 177.72 118.01 7.17 41 L 4.20 54.57 42.02 175.59 117.40 7.81 42 H 4.56 55.63 29.85 174.34 120.56 7.21 43 P 4.09 64.73 31.72 177.98 0.00 0.00 44 D 4.51 55.76 39.97 177.00 121.98 10.54 45 K 4.48 54.67 32.49 176.58 119.17 7.96 46 G 4.03 45.16 0.00 174.87 108.70 7.98 47 G 3.89 43.94 0.00 173.35 108.91 7.80 48 S 4.58 57.00 64.52 174.25 115.58 8.08 49 H 4.29 59.49 29.91 176.81 0.00 0.00 50 A 4.08 55.11 18.10 180.69 122.12 8.40 51 L 4.25 57.49 42.35 178.21 120.67 7.90 52 M 4.03 58.35 32.83 178.35 118.97 7.98 53 Q 4.08 58.65 28.60 178.50 117.96 8.22 54 E 4.03 59.59 29.42 178.28 123.74 8.04 55 L 4.08 58.58 40.68 177.88 119.50 8.58 56 N 4.71 56.42 37.79 179.02 116.49 8.61 57 S 4.33 61.51 62.79 177.09 118.37 8.47 58 L 4.19 58.09 44.66 178.60 123.47 8.45 59 W 4.50 59.50 30.67 177.17 120.33 9.26 60 G 3.73 47.13 0.00 176.61 104.48 8.23 61 T 3.94 66.55 68.21 175.75 120.09 7.88 62 F 4.07 61.45 38.86 175.83 124.22 8.44 63 K 3.12 59.89 31.32 177.97 117.90 8.39 64 T 3.82 66.00 68.62 175.26 115.07 7.57 65 E 4.03 59.44 29.69 178.28 123.11 7.86 66 V 3.44 65.34 31.53 177.66 118.52 7.73 67 Y 4.02 60.07 37.61 177.18 120.88 7.87 68 N 4.39 54.76 38.06 176.58 118.45 8.14 69 L 4.14 56.52 41.86 178.08 121.02 7.82 70 R 4.06 57.16 29.80 176.99 118.92 7.86 71 M 4.29 55.74 32.34 176.05 118.53 7.88 72 N 4.61 53.35 38.29 175.13 118.84 8.11 73 L 4.25 55.37 41.99 177.70 122.27 8.10 74 G 3.90 45.17 0.00 174.48 109.03 8.27 75 G 3.98 45.09 0.00 174.38 108.96 8.18 76 T 4.27 61.98 69.58 175.10 113.19 8.11 77 G 3.85 45.09 0.00 173.75 111.15 8.41 78 F 4.48 57.72 39.43 175.49 120.38 8.04 79 Q 4.16 55.59 29.15 175.15 121.96 8.23 80 H 4.56 55.60 29.85 174.34 120.47 8.21 81 H 4.38 57.06 29.75 178.78 125.82 8.14 82 H 0.00 0.00 0.00 0.00 0.00 0.00 83 H 0.00 0.00 0.00 0.00 0.00 0.00 84 H 0.00 0.00 0.00 0.00 0.00 0.00 85 H 0.00 0.00 0.00 0.00 0.00 0.00 |