DATA SEQUENCE MTEVYDLEIT TNATDFPMEK KYPAGMSLND LKKKLELVVG TTVDSMRIQL DATA SEQUENCE FDGDDQLKGE LTDGAKSLKD LGVRDGYRIH AVDVTGGNED FKDESMVEKY DATA SEQUENCE EMSDDTYGKR TDSVRAWKKK VARS RESID RESNAME ATOMNAME SHIFT FORMAT %4d %1s %4s %8.3f 1 M N 122.5 1 M CA 55.6 1 M CB 32.9 1 M C 176.3 2 T N 116.3 2 T CA 62.4 2 T HA 4.20 2 T CB 69.7 2 T C 174.0 3 E N 125.4 3 E CA 56.8 3 E HA 4.23 3 E CB 30.5 3 E C 175.5 4 V N 123.7 4 V CA 60.4 4 V HA 4.37 4 V CB 35.7 4 V C 174.6 5 Y N 123.6 5 Y CA 53.7 5 Y HA 5.41 5 Y CB 40.7 5 Y C 174.9 6 D N 123.9 6 D CA 54.2 6 D HA 4.96 6 D CB 40.9 6 D C 175.1 7 L N 125.3 7 L CA 53.5 7 L HA 5.16 7 L CB 46.2 7 L C 176.2 8 E N 120.4 8 E CA 54.8 8 E HA 5.04 8 E CB 32.3 8 E C 174.9 9 I N 124.5 9 I CA 58.5 9 I HA 5.53 9 I CB 39.2 9 I C 176.6 10 T N 119.4 10 T CA 60.1 10 T HA 4.84 10 T CB 71.3 10 T C 173.4 11 T N 109.4 11 T CA 59.6 11 T HA 5.12 11 T CB 72.3 11 T C 174.5 12 N N 116.7 12 N CA 54.5 12 N HA 4.83 12 N CB 38.4 12 N C 175.2 13 A N 122.0 13 A CA 52.7 13 A HA 4.48 13 A CB 20.8 13 A C 177.1 14 T N 110.1 14 T CA 60.2 14 T HA 4.50 14 T CB 71.0 14 T C 174.1 15 D N 121.4 15 D CA 54.6 15 D HA 4.64 15 D CB 41.2 15 D C 175.5 16 F N 118.6 16 F CA 55.0 16 F HA 5.01 16 F CB 39.9 16 F C 173.5 17 P CA 62.6 17 P HA 4.64 17 P CB 32.8 17 P C 176.4 18 M N 120.9 18 M CA 54.7 18 M HA 4.68 18 M CB 36.1 18 M C 175.0 19 E N 124.2 19 E CA 56.0 19 E HA 4.95 19 E CB 30.6 19 E C 176.3 20 K N 125.0 20 K CA 54.0 20 K HA 4.53 20 K CB 38.2 20 K C 174.0 21 K N 119.9 21 K CA 54.8 21 K HA 5.39 21 K CB 34.6 21 K C 176.5 22 Y N 121.4 22 Y CA 54.5 22 Y HA 5.25 22 Y CB 41.7 22 Y C 172.7 23 P CA 62.7 23 P HA 4.53 23 P CB 32.4 23 P C 176.2 24 A N 125.8 24 A CA 54.6 24 A HA 3.59 24 A CB 18.9 24 A C 177.7 25 G N 132.0 25 G CA 44.9 25 G HA1 4.08 25 G HA2 3.57 25 G C 174.6 26 M N 122.7 26 M CA 56.1 26 M HA 4.25 26 M CB 34.9 26 M C 174.7 27 S N 121.0 27 S CA 57.4 27 S HA 4.68 27 S CB 65.2 27 S C 175.8 28 L N 122.5 28 L CA 57.9 28 L HA 3.96 28 L CB 40.7 28 L C 178.7 29 N N 118.9 29 N CA 56.3 29 N HA 4.34 29 N CB 38.0 29 N C 178.1 30 D N 122.2 30 D CA 57.5 30 D HA 4.39 30 D CB 40.4 30 D C 178.9 31 L N 123.8 31 L CA 58.7 31 L HA 3.82 31 L CB 41.2 31 L C 178.2 32 K N 117.3 32 K CA 61.3 32 K HA 3.61 32 K CB 32.5 32 K C 178.5 33 K N 117.2 33 K CA 58.8 33 K HA 3.89 33 K CB 31.9 33 K C 180.0 34 K N 118.8 34 K CA 58.6 34 K HA 4.12 34 K CB 32.1 34 K C 179.3 35 L N 118.1 35 L CA 55.6 35 L HA 4.27 35 L CB 42.5 35 L C 178.2 36 E N 122.7 36 E CA 61.1 36 E HA 3.95 36 E CB 30.3 36 E C 179.3 37 L N 116.3 37 L CA 57.0 37 L HA 4.17 37 L CB 42.0 37 L C 178.4 38 V N 117.8 38 V CA 64.2 38 V HA 3.89 38 V CB 33.0 38 V C 176.9 39 V N 116.6 39 V CA 63.3 39 V HA 3.87 39 V CB 33.3 39 V C 176.2 40 G N 107.5 40 G CA 46.1 40 G HA1 4.06 40 G HA2 3.75 40 G C 174.4 41 T N 113.1 41 T CA 60.0 41 T HA 4.52 41 T CB 70.0 41 T C 172.5 42 T N 110.0 42 T CA 60.5 42 T HA 4.62 42 T CB 71.0 42 T C 177.7 43 V N 116.8 43 V CA 66.5 43 V HA 3.69 43 V CB 32.4 43 V C 177.4 44 D N 116.8 44 D CA 56.2 44 D HA 4.47 44 D CB 40.8 44 D C 177.1 45 S N 115.5 45 S CA 57.4 45 S HA 4.53 45 S CB 64.5 45 S C 171.6 46 M N 120.3 46 M CA 54.6 46 M HA 5.11 46 M CB 37.2 46 M C 175.6 47 R N 126.8 47 R CA 54.7 47 R HA 4.65 47 R CB 33.2 47 R C 174.9 48 I N 124.8 48 I CA 58.0 48 I HA 4.95 48 I CB 38.5 48 I C 175.1 49 Q N 126.1 49 Q CA 54.5 49 Q HA 4.81 49 Q CB 33.7 49 Q C 173.4 50 L N 122.7 50 L CA 53.2 50 L HA 5.23 50 L CB 46.3 50 L C 173.6 51 F N 127.1 51 F CA 56.0 51 F HA 5.14 51 F CB 43.2 51 F C 175.1 52 D N 118.8 52 D CA 51.7 52 D HA 4.71 52 D CB 41.2 52 D C 177.5 53 G N 105.6 53 G CA 46.5 53 G HA1 4.00 53 G HA2 3.76 53 G C 174.8 54 D N 120.4 54 D CA 53.9 54 D HA 4.86 54 D CB 41.7 54 D C 175.5 55 D N 118.6 55 D CA 56.1 55 D HA 4.32 55 D CB 40.5 55 D C 174.8 56 Q N 117.3 56 Q CA 54.6 56 Q HA 4.40 56 Q CB 29.0 56 Q C 176.5 57 L N 126.5 57 L CA 56.1 57 L HA 3.43 57 L CB 41.6 57 L C 177.3 58 K N 128.4 58 K CA 55.0 58 K HA 4.38 58 K CB 31.7 58 K C 177.0 59 G N 104.5 59 G CA 44.2 59 G HA1 4.41 59 G HA2 3.69 59 G C 171.0 60 E N 119.9 60 E CA 55.1 60 E HA 4.90 60 E CB 30.9 60 E C 176.8 61 L N 125.3 61 L CA 53.7 61 L HA 4.66 61 L CB 42.1 61 L C 176.2 62 T N 113.4 62 T CA 61.9 62 T HA 4.49 62 T CB 71.0 62 T C 174.7 63 D N 123.0 63 D CA 53.9 63 D HA 4.70 63 D CB 40.4 63 D C 175.2 64 G N 111.2 64 G CA 46.8 64 G HA1 3.84 64 G HA2 3.53 64 G C 173.8 65 A N 118.4 65 A CA 52.5 65 A HA 4.35 65 A CB 19.5 65 A C 179.1 66 K N 119.1 66 K CA 56.0 66 K HA 4.34 66 K CB 35.0 66 K C 175.1 67 S N 115.0 67 S CA 56.3 67 S HA 4.66 67 S CB 65.8 67 S C 175.4 68 L N 117.8 68 L CA 58.5 68 L HA 3.88 68 L CB 40.0 68 L C 179.3 69 K N 118.4 69 K CA 59.5 69 K HA 4.34 69 K CB 33.7 69 K C 181.3 70 D N 123.0 70 D CA 57.2 70 D HA 4.39 70 D CB 40.4 70 D C 178.3 71 L N 120.4 71 L CA 55.5 71 L HA 4.26 71 L CB 42.9 71 L C 176.3 72 G N 105.0 72 G CA 44.9 72 G HA1 4.14 72 G HA2 3.48 72 G C 173.9 73 V N 120.4 73 V CA 64.2 73 V HA 3.12 73 V CB 30.8 73 V C 173.0 74 R N 117.0 74 R CA 51.4 74 R HA 3.34 74 R CB 33.8 74 R C 173.4 75 D N 117.0 75 D CA 56.7 75 D HA 4.33 75 D CB 42.7 75 D C 177.8 76 G N 110.8 76 G CA 45.7 76 G HA1 4.20 76 G HA2 3.92 76 G C 174.4 77 Y N 121.4 77 Y CA 57.0 77 Y HA 4.44 77 Y CB 37.8 77 Y C 172.7 78 R N 119.7 78 R CA 53.9 78 R HA 5.70 78 R CB 35.1 78 R C 175.0 79 I N 127.3 79 I CA 58.7 79 I HA 4.85 79 I CB 39.3 79 I C 173.0 80 H N 128.1 80 H CA 54.2 80 H HA 5.64 80 H CB 35.0 80 H C 174.1 81 A N 131.7 81 A CA 50.1 81 A HA 5.24 81 A CB 22.1 81 A C 175.1 82 V N 118.5 82 V CA 60.1 82 V HA 4.31 82 V CB 35.7 82 V C 175.0 83 D N 123.7 83 D CA 53.0 83 D HA 4.87 83 D CB 41.4 83 D C 178.0 84 V N 122.9 84 V CA 62.9 84 V HA 4.16 84 V CB 31.7 84 V C 177.0 85 T N 116.5 85 T CA 63.9 85 T HA 4.19 85 T CB 69.7 85 T C 176.0 86 G N 110.9 86 G CA 45.6 86 G HA1 3.93 86 G HA2 3.93 86 G C 174.6 87 G N 109.4 87 G CA 45.5 87 G HA1 3.95 87 G HA2 3.95 87 G C 174.1 88 N N 118.9 88 N CA 53.5 88 N HA 4.70 88 N CB 39.3 88 N C 175.6 89 E N 121.3 89 E CA 57.1 89 E HA 4.17 89 E CB 30.2 89 E C 176.2 90 D N 120.7 90 D CA 54.7 90 D HA 4.49 90 D CB 41.3 90 D C 175.9 91 F N 120.7 91 F CA 57.9 91 F HA 4.53 91 F CB 39.4 91 F C 175.5 92 K N 123.6 92 K CA 56.1 92 K HA 4.21 92 K CB 33.5 92 K C 175.7 93 D N 122.2 93 D CA 54.3 93 D HA 4.51 93 D CB 41.6 93 D C 176.7 94 E N 122.9 94 E CA 57.2 94 E HA 4.25 94 E CB 30.2 94 E C 176.9 95 S N 116.5 95 S CA 59.5 95 S HA 4.32 95 S CB 64.1 95 S C 174.9 96 M N 122.2 96 M CA 55.8 96 M HA 4.50 96 M CB 33.0 96 M C 176.2 97 V N 120.9 97 V CA 62.6 97 V HA 4.00 97 V CB 33.2 97 V C 176.2 98 E N 124.5 98 E CA 56.9 98 E HA 4.17 98 E CB 30.4 98 E C 176.2 99 K N 122.5 99 K CA 56.3 99 K HA 4.21 99 K CB 33.4 99 K C 176.2 100 Y N 121.3 100 Y CA 57.7 100 Y HA 4.55 100 Y CB 39.0 100 Y C 175.7 101 E N 123.0 101 E CA 56.4 101 E HA 4.24 101 E CB 30.7 101 E C 176.2 102 M N 121.7 102 M CA 55.6 102 M HA 4.45 102 M CB 33.0 102 M C 176.2 103 S N 117.1 103 S CA 58.5 103 S HA 4.42 103 S CB 64.4 103 S C 174.3 104 D N 122.7 104 D CA 54.7 104 D CB 41.6 104 D C 176.3 105 D N 121.2 105 D CA 54.8 105 D HA 4.59 105 D CB 41.3 105 D C 176.9 106 T N 114.1 106 T CA 63.3 106 T HA 4.10 106 T CB 69.7 106 T C 175.0 107 Y N 121.7 107 Y CA 59.0 107 Y HA 4.42 107 Y CB 38.6 107 Y C 176.7 108 G N 110.4 108 G CA 45.6 108 G HA1 3.87 108 G HA2 3.80 108 G C 174.1 109 K N 120.6 109 K CA 56.4 109 K HA 4.29 109 K CB 33.2 109 K C 176.9 110 R N 122.5 110 R CA 56.5 110 R HA 4.38 110 R CB 31.1 110 R C 176.9 111 T N 114.9 111 T CA 62.2 111 T HA 4.28 111 T CB 70.1 111 T C 174.5 112 D N 122.5 112 D CA 54.5 112 D HA 4.59 112 D CB 41.5 112 D C 176.3 113 S N 115.8 113 S CA 58.8 113 S HA 4.42 113 S CB 63.9 113 S C 174.7 114 V N 121.8 114 V CA 62.9 114 V HA 4.02 114 V CB 33.1 114 V C 176.4 115 R N 124.0 115 R CA 56.2 115 R HA 4.14 115 R CB 31.0 115 R C 176.0 116 A N 124.7 116 A CA 52.7 116 A HA 4.23 116 A CB 19.2 116 A C 177.3 117 W N 120.1 117 W CA 57.3 117 W HA 4.61 117 W CB 29.8 117 W C 175.9 118 K N 123.1 118 K CA 56.0 118 K HA 4.17 118 K CB 33.7 118 K C 175.7 119 K N 123.7 119 K CA 56.7 119 K HA 4.12 119 K CB 33.3 119 K C 175.6 120 K N 128.4 120 K CA 58.0 120 K HA 4.10 120 K CB 34.2 120 K C 181.3