NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.8312 8.3033 117.8363 56.3391 31.2084 175.4413 -3 T 3.7641 7.8208 115.7199 65.3951 68.3747 175.0786 -2 L 3.9303 8.0581 122.0228 58.1721 42.5450 178.4422 -1 K 3.9235 8.0450 118.9143 59.8867 32.1081 178.6562 0 T 3.8732 8.0081 115.7315 66.4544 68.2904 176.5393 1 A 4.0373 8.1097 122.6142 55.3565 18.4048 179.4382 2 N 4.3309 8.3430 115.2691 56.4711 38.6089 177.8163 3 S 4.1386 8.3894 115.9042 61.5540 63.0510 175.8225 4 Y 4.0098 8.2662 123.1972 60.7268 38.4878 177.9517 5 T 3.8186 8.3387 116.8726 66.9930 68.6419 175.7493 6 D 4.3634 8.3723 120.7082 57.7231 41.0249 179.6149 7 V 3.5570 7.6776 118.4953 66.0185 31.4823 178.2168 8 T 3.6822 7.5714 109.5804 64.6621 68.4959 176.5114 9 V 3.4926 7.9849 121.8159 65.8650 31.0763 178.0116 10 S 4.0450 8.1348 112.5144 61.3132 62.1259 175.8837 11 N 4.3613 8.0159 119.0377 55.9774 38.1974 177.3053 12 S 4.0438 8.2073 114.8760 61.6291 62.5677 176.1259 13 T 3.8447 8.0721 118.6257 66.7916 68.1548 176.5705 14 K 3.9587 7.6877 119.4559 59.2563 31.9829 179.3276 15 K 3.8663 8.0925 119.6138 59.3550 32.0619 178.3576 16 A 3.9802 8.1233 121.2282 55.6235 18.2716 179.7904 17 I 3.6592 7.6024 117.4926 64.2495 37.0013 178.4813 18 R 3.8738 8.1999 119.8259 59.7771 29.9528 178.4818 19 E 4.0086 8.4791 118.4010 59.4501 29.4331 179.7088 20 S 4.1734 8.4208 115.5304 61.7567 63.1175 176.5288 21 N 4.4224 8.8681 119.2068 55.9596 38.1783 177.2322 22 Q 4.0220 7.8479 121.6601 58.8995 29.0647 177.2662 23 Y 4.0827 8.1561 120.7029 60.9931 38.6446 177.8294 24 T 3.8470 7.9341 115.4393 67.1593 68.6922 175.7944 25 D 4.4009 7.6491 118.7137 57.3570 40.8498 178.0502 26 H 4.2061 7.7457 117.8566 58.9785 30.0235 179.1155 27 K 3.8793 7.4384 118.6959 56.7110 31.9782 177.9891 25 H 4.4909 7.7291 116.5137 58.1570 28.7498 175.8502 26 Q 3.8161 7.6457 119.4566 59.6785 30.4235 181.0155 27 L 3.8993 7.3084 120.0959 55.6110 41.2782 178.9891 32 E 4.0879 8.2159 118.2645 59.6524 29.4119 178.7507 33 N 4.2415 8.1305 116.2199 56.7238 38.9243 176.6545 34 R 3.8691 7.8678 119.5070 59.4577 30.2294 178.3605 35 L 3.9762 7.8388 118.3283 57.6680 41.6485 178.8573 36 D 4.3609 8.3909 119.2722 57.4035 40.8055 179.1955 37 K 3.9006 8.0201 118.6481 59.3267 32.0253 178.8105 38 L 3.8761 7.9907 120.9059 58.5708 41.8614 178.8250 39 E 3.8964 8.3790 118.9066 59.0660 29.5459 178.5801 40 K 3.9163 8.0679 119.7719 59.5029 32.2211 179.0049 41 R 3.8973 8.0156 118.3541 59.1429 29.9278 178.7009 42 L 3.9372 8.1454 120.2946 58.2617 42.0366 178.9494 43 L 3.9639 8.1136 118.9229 57.5316 41.4100 179.4349 44 K 3.8661 7.9889 119.5538 59.4837 32.2133 178.5255 45 L 3.9093 7.8703 120.5027 58.0594 41.9864 178.4837 46 L 3.9049 8.2076 119.0947 58.2365 41.6822 179.6486 47 A 3.9954 7.8402 119.7823 55.1297 18.2627 179.5328 48 S 4.0449 8.3315 111.9501 61.5378 62.1931 176.4397 49 S 4.0402 8.3730 115.0987 61.4048 62.3376 175.8132 50 A 4.1105 8.0646 123.1052 54.7949 17.8168 179.4827 51 A 3.9866 7.8148 119.0233 55.0016 18.6553 179.3377 52 L 4.2348 7.9357 115.6837 55.4716 41.7879 176.8644 53 N 4.7131 7.4269 119.0936 51.9902 40.6697 175.2849 *54 S 4.2709 8.6600 118.8166 58.2718 63.0817 170.0991 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -4 H 8.30 4.83 0.00 3.28 3.38 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 7.82 3.76 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 -2 L 8.06 3.93 0.00 1.71 1.67 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 8.04 3.92 0.00 1.86 1.81 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.55 7.81 0 T 8.01 3.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1 A 8.11 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.34 4.33 0.00 2.91 2.90 0.00 0.00 6.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.39 4.14 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.27 4.01 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.34 3.82 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 D 8.37 4.36 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.68 3.56 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 8 T 7.57 3.68 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 9 V 7.98 3.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.91 0.00 0.00 10 S 8.13 4.04 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.02 4.36 0.00 2.89 2.81 0.00 0.00 6.54 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.21 4.04 0.00 3.88 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.07 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 14 K 7.69 3.96 0.00 1.90 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.72 7.81 15 K 8.09 3.87 0.00 1.83 1.92 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.45 7.81 16 A 8.12 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.60 3.66 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.91 0.00 0.00 18 R 8.20 3.87 0.00 2.09 2.07 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 19 E 8.48 4.01 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 20 S 8.42 4.17 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.87 4.42 0.00 2.75 2.88 0.00 0.00 6.72 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.85 4.02 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 23 Y 8.16 4.08 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.93 3.85 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 25 D 7.65 4.40 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 7.75 4.21 0.00 3.01 3.26 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.44 3.88 0.00 1.56 1.63 0.00 1.42 0.00 0.00 1.10 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.89 1.12 7.81 25 H 7.73 4.49 0.00 3.41 3.11 0.00 7.14 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.65 3.82 0.00 1.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.65 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 27 L 7.31 3.90 0.00 1.34 1.50 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.22 4.09 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 33 N 8.13 4.24 0.00 2.81 2.99 0.00 0.00 6.79 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.87 3.87 0.00 2.00 2.09 0.00 3.22 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 35 L 7.84 3.98 0.00 1.86 1.69 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.39 4.36 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.02 3.90 0.00 1.98 1.84 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.58 7.81 38 L 7.99 3.88 0.00 1.73 1.88 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.38 3.90 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 40 K 8.07 3.92 0.00 1.98 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 41 R 8.02 3.90 0.00 2.07 1.96 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 42 L 8.15 3.94 0.00 1.74 1.83 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.11 3.96 0.00 1.91 1.70 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.99 3.87 0.00 1.83 1.95 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 45 L 7.87 3.91 0.00 1.81 1.81 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.21 3.90 0.00 1.99 1.73 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.84 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.33 4.04 0.00 3.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.37 4.04 0.00 3.91 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.06 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.81 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.94 4.23 0.00 1.88 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.43 4.71 0.00 2.63 2.71 0.00 0.00 6.78 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 S 8.66 4.27 0.00 3.60 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.