data_17797 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17797 _Entry.PDB_ID 2LG5 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17797 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.463 0.207 17797 2 1 1 . 1 1 2 2 PHE H H 2 8.751 8.751 8.786 -0.035 17797 3 1 1 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.086 0.280 17797 4 1 1 . 1 1 3 3 CYS H H 3 8.885 8.885 8.942 -0.057 17797 5 1 1 . 1 1 4 4 LYS HA H 4 4.040 4.040 3.831 0.209 17797 6 1 1 . 1 1 4 4 LYS H H 4 8.278 8.278 8.173 0.105 17797 7 1 1 . 1 1 5 5 GLY H H 5 9.033 9.033 8.496 0.537 17797 8 1 1 . 1 1 6 6 GLY H H 6 7.745 7.745 8.023 -0.278 17797 9 1 1 . 1 1 7 7 SER HA H 7 4.793 4.793 4.365 0.428 17797 10 1 1 . 1 1 7 7 SER H H 7 8.748 8.748 8.165 0.583 17797 11 1 1 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.272 1.382 17797 12 1 1 . 1 1 8 8 CYS H H 8 8.799 8.799 8.893 -0.094 17797 13 1 1 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.560 0.198 17797 14 1 1 . 1 1 9 9 HIS H H 9 9.427 9.427 8.293 1.134 17797 15 1 1 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.223 0.327 17797 16 1 1 . 1 1 10 10 PHE H H 10 9.255 9.255 8.659 0.596 17797 17 1 1 . 1 1 11 11 GLY H H 11 8.642 8.642 8.161 0.481 17797 18 1 1 . 1 1 12 12 GLY H H 12 7.976 7.976 7.445 0.531 17797 19 1 1 . 1 1 13 13 CYS HA H 13 4.769 4.769 5.009 -0.240 17797 20 1 1 . 1 1 13 13 CYS H H 13 8.487 8.487 8.422 0.065 17797 21 1 1 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.271 0.109 17797 22 1 1 . 1 1 15 15 SER HA H 15 3.934 3.934 4.386 -0.452 17797 23 1 1 . 1 1 15 15 SER H H 15 8.294 8.294 7.751 0.543 17797 24 1 1 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.025 0.284 17797 25 1 1 . 1 1 16 16 HIS H H 16 8.331 8.331 7.861 0.470 17797 26 1 1 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.980 0.449 17797 27 1 1 . 1 1 17 17 LEU H H 17 7.606 7.606 7.958 -0.352 17797 28 1 1 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.095 0.252 17797 29 1 1 . 1 1 18 18 ILE H H 18 8.946 8.946 7.932 1.014 17797 30 1 1 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.153 0.645 17797 31 1 1 . 1 1 19 19 LYS H H 19 8.568 8.568 8.702 -0.134 17797 32 1 1 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.099 0.329 17797 33 1 1 . 1 1 20 20 VAL H H 20 8.803 8.803 8.394 0.409 17797 34 1 1 . 1 1 21 21 GLY H H 21 7.805 7.805 7.975 -0.170 17797 35 1 1 . 1 1 22 22 SER HA H 22 5.031 5.031 4.858 0.173 17797 36 1 1 . 1 1 22 22 SER H H 22 8.728 8.728 8.121 0.607 17797 37 1 1 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.687 0.062 17797 38 1 1 . 1 1 23 23 CYS H H 23 8.094 8.094 8.819 -0.725 17797 39 1 1 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.738 -0.577 17797 40 1 1 . 1 1 24 24 PHE H H 24 7.759 7.759 7.574 0.185 17797 41 1 1 . 1 1 25 25 GLY H H 25 8.254 8.254 7.729 0.525 17797 42 1 1 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.689 -0.316 17797 43 1 1 . 1 1 26 26 PHE H H 26 8.271 8.271 7.913 0.358 17797 44 1 1 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.834 -0.260 17797 45 1 1 . 1 1 27 27 ARG H H 27 7.063 7.063 8.388 -1.325 17797 46 1 1 . 1 1 28 28 SER HA H 28 4.596 4.596 4.333 0.263 17797 47 1 1 . 1 1 28 28 SER H H 28 9.136 9.136 8.415 0.721 17797 48 1 1 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.463 0.383 17797 49 1 1 . 1 1 29 29 CYS H H 29 8.592 8.592 8.654 -0.062 17797 50 1 1 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.349 0.165 17797 51 1 1 . 1 1 30 30 CYS H H 30 8.991 8.991 9.262 -0.271 17797 52 1 1 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.710 0.036 17797 53 1 1 . 1 1 31 31 LYS H H 31 9.313 9.313 8.734 0.579 17797 54 1 1 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.141 0.418 17797 55 1 1 . 1 1 32 32 TRP H H 32 8.387 8.387 8.557 -0.170 17797 56 1 1 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.025 0.129 17797 57 1 1 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.414 0.349 17797 58 1 1 . 1 1 34 34 TRP H H 34 6.993 6.993 7.169 -0.176 17797 59 1 1 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.642 0.211 17797 60 1 1 . 1 1 35 35 ASN H H 35 7.914 7.914 7.990 -0.076 17797 61 1 2 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.732 -0.062 17797 62 1 2 . 1 1 2 2 PHE H H 2 8.751 8.751 9.250 -0.499 17797 63 1 2 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.000 0.366 17797 64 1 2 . 1 1 3 3 CYS H H 3 8.885 8.885 9.026 -0.141 17797 65 1 2 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.124 -0.084 17797 66 1 2 . 1 1 4 4 LYS H H 4 8.278 8.278 7.887 0.391 17797 67 1 2 . 1 1 5 5 GLY H H 5 9.033 9.033 8.749 0.284 17797 68 1 2 . 1 1 6 6 GLY H H 6 7.745 7.745 7.669 0.076 17797 69 1 2 . 1 1 7 7 SER HA H 7 4.793 4.793 4.855 -0.062 17797 70 1 2 . 1 1 7 7 SER H H 7 8.748 8.748 7.922 0.826 17797 71 1 2 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.553 1.101 17797 72 1 2 . 1 1 8 8 CYS H H 8 8.799 8.799 8.893 -0.094 17797 73 1 2 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.818 -0.060 17797 74 1 2 . 1 1 9 9 HIS H H 9 9.427 9.427 9.065 0.362 17797 75 1 2 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.284 0.266 17797 76 1 2 . 1 1 10 10 PHE H H 10 9.255 9.255 8.950 0.305 17797 77 1 2 . 1 1 11 11 GLY H H 11 8.642 8.642 8.833 -0.191 17797 78 1 2 . 1 1 12 12 GLY H H 12 7.976 7.976 8.060 -0.084 17797 79 1 2 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.513 0.256 17797 80 1 2 . 1 1 13 13 CYS H H 13 8.487 8.487 8.162 0.325 17797 81 1 2 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.145 0.235 17797 82 1 2 . 1 1 15 15 SER HA H 15 3.934 3.934 4.335 -0.401 17797 83 1 2 . 1 1 15 15 SER H H 15 8.294 8.294 7.532 0.762 17797 84 1 2 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.072 0.237 17797 85 1 2 . 1 1 16 16 HIS H H 16 8.331 8.331 7.749 0.582 17797 86 1 2 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.986 0.443 17797 87 1 2 . 1 1 17 17 LEU H H 17 7.606 7.606 8.559 -0.953 17797 88 1 2 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.471 -0.124 17797 89 1 2 . 1 1 18 18 ILE H H 18 8.946 8.946 8.136 0.810 17797 90 1 2 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.520 0.278 17797 91 1 2 . 1 1 19 19 LYS H H 19 8.568 8.568 8.768 -0.200 17797 92 1 2 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.153 0.275 17797 93 1 2 . 1 1 20 20 VAL H H 20 8.803 8.803 8.700 0.103 17797 94 1 2 . 1 1 21 21 GLY H H 21 7.805 7.805 8.156 -0.351 17797 95 1 2 . 1 1 22 22 SER HA H 22 5.031 5.031 5.056 -0.025 17797 96 1 2 . 1 1 22 22 SER H H 22 8.728 8.728 8.196 0.532 17797 97 1 2 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.665 0.084 17797 98 1 2 . 1 1 23 23 CYS H H 23 8.094 8.094 8.841 -0.747 17797 99 1 2 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.404 -0.243 17797 100 1 2 . 1 1 24 24 PHE H H 24 7.759 7.759 8.655 -0.896 17797 101 1 2 . 1 1 25 25 GLY H H 25 8.254 8.254 8.240 0.014 17797 102 1 2 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.419 -0.046 17797 103 1 2 . 1 1 26 26 PHE H H 26 8.271 8.271 8.523 -0.252 17797 104 1 2 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.014 0.560 17797 105 1 2 . 1 1 27 27 ARG H H 27 7.063 7.063 7.432 -0.369 17797 106 1 2 . 1 1 28 28 SER HA H 28 4.596 4.596 4.333 0.263 17797 107 1 2 . 1 1 28 28 SER H H 28 9.136 9.136 8.278 0.858 17797 108 1 2 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.415 0.431 17797 109 1 2 . 1 1 29 29 CYS H H 29 8.592 8.592 8.557 0.035 17797 110 1 2 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.579 -0.065 17797 111 1 2 . 1 1 30 30 CYS H H 30 8.991 8.991 8.986 0.005 17797 112 1 2 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.615 0.131 17797 113 1 2 . 1 1 31 31 LYS H H 31 9.313 9.313 8.085 1.228 17797 114 1 2 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.584 -0.025 17797 115 1 2 . 1 1 32 32 TRP H H 32 8.387 8.387 8.579 -0.192 17797 116 1 2 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.483 -0.329 17797 117 1 2 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.624 0.139 17797 118 1 2 . 1 1 34 34 TRP H H 34 6.993 6.993 7.970 -0.977 17797 119 1 2 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.718 0.135 17797 120 1 2 . 1 1 35 35 ASN H H 35 7.914 7.914 8.015 -0.101 17797 121 1 3 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.403 0.267 17797 122 1 3 . 1 1 2 2 PHE H H 2 8.751 8.751 8.858 -0.107 17797 123 1 3 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.268 0.098 17797 124 1 3 . 1 1 3 3 CYS H H 3 8.885 8.885 8.660 0.225 17797 125 1 3 . 1 1 4 4 LYS HA H 4 4.040 4.040 3.835 0.205 17797 126 1 3 . 1 1 4 4 LYS H H 4 8.278 8.278 8.983 -0.705 17797 127 1 3 . 1 1 5 5 GLY H H 5 9.033 9.033 8.278 0.755 17797 128 1 3 . 1 1 6 6 GLY H H 6 7.745 7.745 7.744 0.001 17797 129 1 3 . 1 1 7 7 SER HA H 7 4.793 4.793 4.491 0.302 17797 130 1 3 . 1 1 7 7 SER H H 7 8.748 8.748 8.600 0.148 17797 131 1 3 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.393 1.261 17797 132 1 3 . 1 1 8 8 CYS H H 8 8.799 8.799 8.859 -0.060 17797 133 1 3 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.371 0.387 17797 134 1 3 . 1 1 9 9 HIS H H 9 9.427 9.427 8.394 1.033 17797 135 1 3 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.359 0.191 17797 136 1 3 . 1 1 10 10 PHE H H 10 9.255 9.255 8.321 0.934 17797 137 1 3 . 1 1 11 11 GLY H H 11 8.642 8.642 8.353 0.289 17797 138 1 3 . 1 1 12 12 GLY H H 12 7.976 7.976 7.570 0.406 17797 139 1 3 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.745 0.024 17797 140 1 3 . 1 1 13 13 CYS H H 13 8.487 8.487 8.198 0.289 17797 141 1 3 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.182 0.198 17797 142 1 3 . 1 1 15 15 SER HA H 15 3.934 3.934 4.244 -0.310 17797 143 1 3 . 1 1 15 15 SER H H 15 8.294 8.294 7.237 1.057 17797 144 1 3 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.120 0.189 17797 145 1 3 . 1 1 16 16 HIS H H 16 8.331 8.331 7.701 0.630 17797 146 1 3 . 1 1 17 17 LEU HA H 17 4.429 4.429 4.063 0.366 17797 147 1 3 . 1 1 17 17 LEU H H 17 7.606 7.606 7.885 -0.279 17797 148 1 3 . 1 1 18 18 ILE HA H 18 4.347 4.347 3.915 0.432 17797 149 1 3 . 1 1 18 18 ILE H H 18 8.946 8.946 7.764 1.182 17797 150 1 3 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.257 0.541 17797 151 1 3 . 1 1 19 19 LYS H H 19 8.568 8.568 8.422 0.146 17797 152 1 3 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.591 -0.163 17797 153 1 3 . 1 1 20 20 VAL H H 20 8.803 8.803 8.734 0.069 17797 154 1 3 . 1 1 21 21 GLY H H 21 7.805 7.805 7.597 0.208 17797 155 1 3 . 1 1 22 22 SER HA H 22 5.031 5.031 4.759 0.272 17797 156 1 3 . 1 1 22 22 SER H H 22 8.728 8.728 8.020 0.708 17797 157 1 3 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.889 -0.140 17797 158 1 3 . 1 1 23 23 CYS H H 23 8.094 8.094 8.636 -0.542 17797 159 1 3 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.264 -0.103 17797 160 1 3 . 1 1 24 24 PHE H H 24 7.759 7.759 8.674 -0.915 17797 161 1 3 . 1 1 25 25 GLY H H 25 8.254 8.254 8.335 -0.081 17797 162 1 3 . 1 1 26 26 PHE HA H 26 4.373 4.373 3.996 0.377 17797 163 1 3 . 1 1 26 26 PHE H H 26 8.271 8.271 8.116 0.155 17797 164 1 3 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.533 0.041 17797 165 1 3 . 1 1 27 27 ARG H H 27 7.063 7.063 8.158 -1.095 17797 166 1 3 . 1 1 28 28 SER HA H 28 4.596 4.596 4.154 0.442 17797 167 1 3 . 1 1 28 28 SER H H 28 9.136 9.136 7.941 1.195 17797 168 1 3 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.530 0.316 17797 169 1 3 . 1 1 29 29 CYS H H 29 8.592 8.592 8.432 0.160 17797 170 1 3 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.474 0.040 17797 171 1 3 . 1 1 30 30 CYS H H 30 8.991 8.991 9.154 -0.163 17797 172 1 3 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.856 -0.110 17797 173 1 3 . 1 1 31 31 LYS H H 31 9.313 9.313 8.824 0.489 17797 174 1 3 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.702 -0.143 17797 175 1 3 . 1 1 32 32 TRP H H 32 8.387 8.387 8.861 -0.474 17797 176 1 3 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.113 0.041 17797 177 1 3 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.636 0.127 17797 178 1 3 . 1 1 34 34 TRP H H 34 6.993 6.993 8.119 -1.126 17797 179 1 3 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.573 0.280 17797 180 1 3 . 1 1 35 35 ASN H H 35 7.914 7.914 8.342 -0.428 17797 181 1 4 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.896 -0.226 17797 182 1 4 . 1 1 2 2 PHE H H 2 8.751 8.751 8.420 0.331 17797 183 1 4 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.042 0.324 17797 184 1 4 . 1 1 3 3 CYS H H 3 8.885 8.885 8.362 0.523 17797 185 1 4 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.092 -0.052 17797 186 1 4 . 1 1 4 4 LYS H H 4 8.278 8.278 8.714 -0.436 17797 187 1 4 . 1 1 5 5 GLY H H 5 9.033 9.033 8.394 0.639 17797 188 1 4 . 1 1 6 6 GLY H H 6 7.745 7.745 7.506 0.239 17797 189 1 4 . 1 1 7 7 SER HA H 7 4.793 4.793 5.145 -0.352 17797 190 1 4 . 1 1 7 7 SER H H 7 8.748 8.748 8.412 0.336 17797 191 1 4 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.273 1.381 17797 192 1 4 . 1 1 8 8 CYS H H 8 8.799 8.799 9.226 -0.427 17797 193 1 4 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.557 0.201 17797 194 1 4 . 1 1 9 9 HIS H H 9 9.427 9.427 8.316 1.111 17797 195 1 4 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.399 0.151 17797 196 1 4 . 1 1 10 10 PHE H H 10 9.255 9.255 8.564 0.691 17797 197 1 4 . 1 1 11 11 GLY H H 11 8.642 8.642 8.427 0.215 17797 198 1 4 . 1 1 12 12 GLY H H 12 7.976 7.976 7.611 0.365 17797 199 1 4 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.813 -0.044 17797 200 1 4 . 1 1 13 13 CYS H H 13 8.487 8.487 8.234 0.253 17797 201 1 4 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.244 0.136 17797 202 1 4 . 1 1 15 15 SER HA H 15 3.934 3.934 4.401 -0.467 17797 203 1 4 . 1 1 15 15 SER H H 15 8.294 8.294 7.360 0.934 17797 204 1 4 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.525 -0.216 17797 205 1 4 . 1 1 16 16 HIS H H 16 8.331 8.331 8.551 -0.220 17797 206 1 4 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.841 0.588 17797 207 1 4 . 1 1 17 17 LEU H H 17 7.606 7.606 7.497 0.109 17797 208 1 4 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.075 0.272 17797 209 1 4 . 1 1 18 18 ILE H H 18 8.946 8.946 8.208 0.738 17797 210 1 4 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.379 0.419 17797 211 1 4 . 1 1 19 19 LYS H H 19 8.568 8.568 8.357 0.211 17797 212 1 4 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.472 -0.044 17797 213 1 4 . 1 1 20 20 VAL H H 20 8.803 8.803 8.878 -0.075 17797 214 1 4 . 1 1 21 21 GLY H H 21 7.805 7.805 7.353 0.452 17797 215 1 4 . 1 1 22 22 SER HA H 22 5.031 5.031 4.738 0.293 17797 216 1 4 . 1 1 22 22 SER H H 22 8.728 8.728 8.306 0.422 17797 217 1 4 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.748 0.001 17797 218 1 4 . 1 1 23 23 CYS H H 23 8.094 8.094 8.233 -0.139 17797 219 1 4 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.409 -0.248 17797 220 1 4 . 1 1 24 24 PHE H H 24 7.759 7.759 8.461 -0.702 17797 221 1 4 . 1 1 25 25 GLY H H 25 8.254 8.254 8.240 0.014 17797 222 1 4 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.709 -0.336 17797 223 1 4 . 1 1 26 26 PHE H H 26 8.271 8.271 8.355 -0.084 17797 224 1 4 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.538 0.036 17797 225 1 4 . 1 1 27 27 ARG H H 27 7.063 7.063 8.020 -0.957 17797 226 1 4 . 1 1 28 28 SER HA H 28 4.596 4.596 4.143 0.453 17797 227 1 4 . 1 1 28 28 SER H H 28 9.136 9.136 8.358 0.778 17797 228 1 4 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.326 0.520 17797 229 1 4 . 1 1 29 29 CYS H H 29 8.592 8.592 8.377 0.215 17797 230 1 4 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.044 0.470 17797 231 1 4 . 1 1 30 30 CYS H H 30 8.991 8.991 9.073 -0.082 17797 232 1 4 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.653 0.093 17797 233 1 4 . 1 1 31 31 LYS H H 31 9.313 9.313 8.607 0.706 17797 234 1 4 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.456 0.103 17797 235 1 4 . 1 1 32 32 TRP H H 32 8.387 8.387 8.844 -0.457 17797 236 1 4 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.142 0.012 17797 237 1 4 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.875 -0.112 17797 238 1 4 . 1 1 34 34 TRP H H 34 6.993 6.993 7.917 -0.924 17797 239 1 4 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.893 -0.040 17797 240 1 4 . 1 1 35 35 ASN H H 35 7.914 7.914 8.071 -0.157 17797 241 1 5 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.726 -0.056 17797 242 1 5 . 1 1 2 2 PHE H H 2 8.751 8.751 9.020 -0.269 17797 243 1 5 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.215 0.151 17797 244 1 5 . 1 1 3 3 CYS H H 3 8.885 8.885 8.492 0.393 17797 245 1 5 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.083 -0.043 17797 246 1 5 . 1 1 4 4 LYS H H 4 8.278 8.278 8.236 0.042 17797 247 1 5 . 1 1 5 5 GLY H H 5 9.033 9.033 8.462 0.571 17797 248 1 5 . 1 1 6 6 GLY H H 6 7.745 7.745 7.251 0.494 17797 249 1 5 . 1 1 7 7 SER HA H 7 4.793 4.793 5.033 -0.240 17797 250 1 5 . 1 1 7 7 SER H H 7 8.748 8.748 8.533 0.215 17797 251 1 5 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.261 1.393 17797 252 1 5 . 1 1 8 8 CYS H H 8 8.799 8.799 9.099 -0.300 17797 253 1 5 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.532 0.226 17797 254 1 5 . 1 1 9 9 HIS H H 9 9.427 9.427 8.658 0.769 17797 255 1 5 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.644 -0.094 17797 256 1 5 . 1 1 10 10 PHE H H 10 9.255 9.255 7.678 1.577 17797 257 1 5 . 1 1 11 11 GLY H H 11 8.642 8.642 8.164 0.478 17797 258 1 5 . 1 1 12 12 GLY H H 12 7.976 7.976 7.798 0.178 17797 259 1 5 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.456 0.313 17797 260 1 5 . 1 1 13 13 CYS H H 13 8.487 8.487 8.357 0.130 17797 261 1 5 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.256 0.124 17797 262 1 5 . 1 1 15 15 SER HA H 15 3.934 3.934 4.080 -0.146 17797 263 1 5 . 1 1 15 15 SER H H 15 8.294 8.294 8.515 -0.221 17797 264 1 5 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.564 -0.255 17797 265 1 5 . 1 1 16 16 HIS H H 16 8.331 8.331 8.135 0.196 17797 266 1 5 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.865 0.564 17797 267 1 5 . 1 1 17 17 LEU H H 17 7.606 7.606 7.459 0.147 17797 268 1 5 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.007 0.340 17797 269 1 5 . 1 1 18 18 ILE H H 18 8.946 8.946 8.647 0.299 17797 270 1 5 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.100 0.698 17797 271 1 5 . 1 1 19 19 LYS H H 19 8.568 8.568 8.590 -0.022 17797 272 1 5 . 1 1 20 20 VAL HA H 20 4.428 4.428 3.929 0.499 17797 273 1 5 . 1 1 20 20 VAL H H 20 8.803 8.803 9.083 -0.280 17797 274 1 5 . 1 1 21 21 GLY H H 21 7.805 7.805 7.442 0.363 17797 275 1 5 . 1 1 22 22 SER HA H 22 5.031 5.031 4.827 0.204 17797 276 1 5 . 1 1 22 22 SER H H 22 8.728 8.728 8.324 0.404 17797 277 1 5 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.467 0.282 17797 278 1 5 . 1 1 23 23 CYS H H 23 8.094 8.094 8.215 -0.121 17797 279 1 5 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.587 -0.426 17797 280 1 5 . 1 1 24 24 PHE H H 24 7.759 7.759 7.758 0.001 17797 281 1 5 . 1 1 25 25 GLY H H 25 8.254 8.254 8.358 -0.104 17797 282 1 5 . 1 1 26 26 PHE HA H 26 4.373 4.373 3.947 0.426 17797 283 1 5 . 1 1 26 26 PHE H H 26 8.271 8.271 8.126 0.145 17797 284 1 5 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.526 0.048 17797 285 1 5 . 1 1 27 27 ARG H H 27 7.063 7.063 7.326 -0.263 17797 286 1 5 . 1 1 28 28 SER HA H 28 4.596 4.596 4.672 -0.076 17797 287 1 5 . 1 1 28 28 SER H H 28 9.136 9.136 8.571 0.565 17797 288 1 5 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.577 0.269 17797 289 1 5 . 1 1 29 29 CYS H H 29 8.592 8.592 8.380 0.212 17797 290 1 5 . 1 1 30 30 CYS HA H 30 5.514 5.514 4.904 0.610 17797 291 1 5 . 1 1 30 30 CYS H H 30 8.991 8.991 9.177 -0.186 17797 292 1 5 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.587 0.159 17797 293 1 5 . 1 1 31 31 LYS H H 31 9.313 9.313 8.557 0.756 17797 294 1 5 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.468 0.091 17797 295 1 5 . 1 1 32 32 TRP H H 32 8.387 8.387 8.902 -0.515 17797 296 1 5 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.051 0.103 17797 297 1 5 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.839 -0.076 17797 298 1 5 . 1 1 34 34 TRP H H 34 6.993 6.993 7.902 -0.909 17797 299 1 5 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.684 0.169 17797 300 1 5 . 1 1 35 35 ASN H H 35 7.914 7.914 8.002 -0.088 17797 301 1 6 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.409 0.261 17797 302 1 6 . 1 1 2 2 PHE H H 2 8.751 8.751 8.802 -0.051 17797 303 1 6 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.210 0.156 17797 304 1 6 . 1 1 3 3 CYS H H 3 8.885 8.885 9.116 -0.231 17797 305 1 6 . 1 1 4 4 LYS HA H 4 4.040 4.040 3.943 0.097 17797 306 1 6 . 1 1 4 4 LYS H H 4 8.278 8.278 8.519 -0.241 17797 307 1 6 . 1 1 5 5 GLY H H 5 9.033 9.033 7.828 1.205 17797 308 1 6 . 1 1 6 6 GLY H H 6 7.745 7.745 7.333 0.412 17797 309 1 6 . 1 1 7 7 SER HA H 7 4.793 4.793 4.304 0.489 17797 310 1 6 . 1 1 7 7 SER H H 7 8.748 8.748 8.476 0.272 17797 311 1 6 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.353 1.301 17797 312 1 6 . 1 1 8 8 CYS H H 8 8.799 8.799 8.451 0.348 17797 313 1 6 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.306 0.452 17797 314 1 6 . 1 1 9 9 HIS H H 9 9.427 9.427 8.783 0.644 17797 315 1 6 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.340 0.210 17797 316 1 6 . 1 1 10 10 PHE H H 10 9.255 9.255 8.534 0.721 17797 317 1 6 . 1 1 11 11 GLY H H 11 8.642 8.642 8.041 0.601 17797 318 1 6 . 1 1 12 12 GLY H H 12 7.976 7.976 8.143 -0.167 17797 319 1 6 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.420 0.349 17797 320 1 6 . 1 1 13 13 CYS H H 13 8.487 8.487 7.971 0.516 17797 321 1 6 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.280 0.100 17797 322 1 6 . 1 1 15 15 SER HA H 15 3.934 3.934 4.077 -0.143 17797 323 1 6 . 1 1 15 15 SER H H 15 8.294 8.294 8.643 -0.350 17797 324 1 6 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.791 -0.482 17797 325 1 6 . 1 1 16 16 HIS H H 16 8.331 8.331 7.661 0.670 17797 326 1 6 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.806 0.623 17797 327 1 6 . 1 1 17 17 LEU H H 17 7.606 7.606 7.099 0.507 17797 328 1 6 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.047 0.300 17797 329 1 6 . 1 1 18 18 ILE H H 18 8.946 8.946 7.884 1.062 17797 330 1 6 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.315 0.483 17797 331 1 6 . 1 1 19 19 LYS H H 19 8.568 8.568 8.731 -0.163 17797 332 1 6 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.072 0.356 17797 333 1 6 . 1 1 20 20 VAL H H 20 8.803 8.803 8.321 0.482 17797 334 1 6 . 1 1 21 21 GLY H H 21 7.805 7.805 8.129 -0.324 17797 335 1 6 . 1 1 22 22 SER HA H 22 5.031 5.031 4.918 0.113 17797 336 1 6 . 1 1 22 22 SER H H 22 8.728 8.728 8.172 0.556 17797 337 1 6 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.320 0.429 17797 338 1 6 . 1 1 23 23 CYS H H 23 8.094 8.094 9.003 -0.909 17797 339 1 6 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.585 -0.424 17797 340 1 6 . 1 1 24 24 PHE H H 24 7.759 7.759 7.880 -0.121 17797 341 1 6 . 1 1 25 25 GLY H H 25 8.254 8.254 7.386 0.868 17797 342 1 6 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.053 0.320 17797 343 1 6 . 1 1 26 26 PHE H H 26 8.271 8.271 8.458 -0.187 17797 344 1 6 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.145 0.429 17797 345 1 6 . 1 1 27 27 ARG H H 27 7.063 7.063 8.384 -1.321 17797 346 1 6 . 1 1 28 28 SER HA H 28 4.596 4.596 4.497 0.099 17797 347 1 6 . 1 1 28 28 SER H H 28 9.136 9.136 8.262 0.874 17797 348 1 6 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.428 0.418 17797 349 1 6 . 1 1 29 29 CYS H H 29 8.592 8.592 8.532 0.060 17797 350 1 6 . 1 1 30 30 CYS HA H 30 5.514 5.514 4.638 0.876 17797 351 1 6 . 1 1 30 30 CYS H H 30 8.991 8.991 8.912 0.079 17797 352 1 6 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.568 0.178 17797 353 1 6 . 1 1 31 31 LYS H H 31 9.313 9.313 7.724 1.589 17797 354 1 6 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.510 0.049 17797 355 1 6 . 1 1 32 32 TRP H H 32 8.387 8.387 8.805 -0.418 17797 356 1 6 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.023 0.131 17797 357 1 6 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.916 -0.153 17797 358 1 6 . 1 1 34 34 TRP H H 34 6.993 6.993 7.182 -0.189 17797 359 1 6 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.698 0.155 17797 360 1 6 . 1 1 35 35 ASN H H 35 7.914 7.914 8.105 -0.192 17797 361 1 7 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.758 -0.088 17797 362 1 7 . 1 1 2 2 PHE H H 2 8.751 8.751 7.968 0.783 17797 363 1 7 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.179 0.187 17797 364 1 7 . 1 1 3 3 CYS H H 3 8.885 8.885 7.788 1.097 17797 365 1 7 . 1 1 4 4 LYS HA H 4 4.040 4.040 3.902 0.138 17797 366 1 7 . 1 1 4 4 LYS H H 4 8.278 8.278 8.450 -0.172 17797 367 1 7 . 1 1 5 5 GLY H H 5 9.033 9.033 8.248 0.785 17797 368 1 7 . 1 1 6 6 GLY H H 6 7.745 7.745 7.829 -0.084 17797 369 1 7 . 1 1 7 7 SER HA H 7 4.793 4.793 4.573 0.220 17797 370 1 7 . 1 1 7 7 SER H H 7 8.748 8.748 8.489 0.259 17797 371 1 7 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.568 1.086 17797 372 1 7 . 1 1 8 8 CYS H H 8 8.799 8.799 8.815 -0.016 17797 373 1 7 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.341 0.417 17797 374 1 7 . 1 1 9 9 HIS H H 9 9.427 9.427 8.785 0.642 17797 375 1 7 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.652 -0.102 17797 376 1 7 . 1 1 10 10 PHE H H 10 9.255 9.255 8.697 0.558 17797 377 1 7 . 1 1 11 11 GLY H H 11 8.642 8.642 8.328 0.314 17797 378 1 7 . 1 1 12 12 GLY H H 12 7.976 7.976 8.079 -0.103 17797 379 1 7 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.552 0.217 17797 380 1 7 . 1 1 13 13 CYS H H 13 8.487 8.487 7.983 0.504 17797 381 1 7 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.075 0.305 17797 382 1 7 . 1 1 15 15 SER HA H 15 3.934 3.934 4.328 -0.394 17797 383 1 7 . 1 1 15 15 SER H H 15 8.294 8.294 7.218 1.076 17797 384 1 7 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.478 -0.169 17797 385 1 7 . 1 1 16 16 HIS H H 16 8.331 8.331 8.153 0.178 17797 386 1 7 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.845 0.584 17797 387 1 7 . 1 1 17 17 LEU H H 17 7.606 7.606 7.433 0.173 17797 388 1 7 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.066 0.281 17797 389 1 7 . 1 1 18 18 ILE H H 18 8.946 8.946 8.335 0.611 17797 390 1 7 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.490 0.308 17797 391 1 7 . 1 1 19 19 LYS H H 19 8.568 8.568 8.386 0.182 17797 392 1 7 . 1 1 20 20 VAL HA H 20 4.428 4.428 3.780 0.648 17797 393 1 7 . 1 1 20 20 VAL H H 20 8.803 8.803 8.663 0.140 17797 394 1 7 . 1 1 21 21 GLY H H 21 7.805 7.805 7.358 0.447 17797 395 1 7 . 1 1 22 22 SER HA H 22 5.031 5.031 4.847 0.184 17797 396 1 7 . 1 1 22 22 SER H H 22 8.728 8.728 7.832 0.896 17797 397 1 7 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.741 0.008 17797 398 1 7 . 1 1 23 23 CYS H H 23 8.094 8.094 8.749 -0.655 17797 399 1 7 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.361 -0.200 17797 400 1 7 . 1 1 24 24 PHE H H 24 7.759 7.759 8.913 -1.154 17797 401 1 7 . 1 1 25 25 GLY H H 25 8.254 8.254 8.588 -0.334 17797 402 1 7 . 1 1 26 26 PHE HA H 26 4.373 4.373 3.938 0.435 17797 403 1 7 . 1 1 26 26 PHE H H 26 8.271 8.271 8.245 0.026 17797 404 1 7 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.352 0.222 17797 405 1 7 . 1 1 27 27 ARG H H 27 7.063 7.063 7.668 -0.605 17797 406 1 7 . 1 1 28 28 SER HA H 28 4.596 4.596 4.034 0.562 17797 407 1 7 . 1 1 28 28 SER H H 28 9.136 9.136 7.910 1.226 17797 408 1 7 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.204 0.642 17797 409 1 7 . 1 1 29 29 CYS H H 29 8.592 8.592 8.483 0.109 17797 410 1 7 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.037 0.477 17797 411 1 7 . 1 1 30 30 CYS H H 30 8.991 8.991 8.840 0.151 17797 412 1 7 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.653 0.093 17797 413 1 7 . 1 1 31 31 LYS H H 31 9.313 9.313 8.051 1.262 17797 414 1 7 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.437 0.122 17797 415 1 7 . 1 1 32 32 TRP H H 32 8.387 8.387 8.624 -0.237 17797 416 1 7 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.302 -0.148 17797 417 1 7 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.844 -0.081 17797 418 1 7 . 1 1 34 34 TRP H H 34 6.993 6.993 7.941 -0.948 17797 419 1 7 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.848 0.005 17797 420 1 7 . 1 1 35 35 ASN H H 35 7.914 7.914 8.436 -0.522 17797 421 1 8 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.292 0.378 17797 422 1 8 . 1 1 2 2 PHE H H 2 8.751 8.751 8.638 0.113 17797 423 1 8 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.595 -0.229 17797 424 1 8 . 1 1 3 3 CYS H H 3 8.885 8.885 8.036 0.849 17797 425 1 8 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.043 -0.003 17797 426 1 8 . 1 1 4 4 LYS H H 4 8.278 8.278 8.864 -0.586 17797 427 1 8 . 1 1 5 5 GLY H H 5 9.033 9.033 8.579 0.454 17797 428 1 8 . 1 1 6 6 GLY H H 6 7.745 7.745 7.466 0.279 17797 429 1 8 . 1 1 7 7 SER HA H 7 4.793 4.793 4.357 0.436 17797 430 1 8 . 1 1 7 7 SER H H 7 8.748 8.748 8.218 0.530 17797 431 1 8 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.255 1.399 17797 432 1 8 . 1 1 8 8 CYS H H 8 8.799 8.799 8.957 -0.158 17797 433 1 8 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.335 0.423 17797 434 1 8 . 1 1 9 9 HIS H H 9 9.427 9.427 8.682 0.745 17797 435 1 8 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.278 0.272 17797 436 1 8 . 1 1 10 10 PHE H H 10 9.255 9.255 8.608 0.647 17797 437 1 8 . 1 1 11 11 GLY H H 11 8.642 8.642 9.291 -0.649 17797 438 1 8 . 1 1 12 12 GLY H H 12 7.976 7.976 7.960 0.016 17797 439 1 8 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.265 0.504 17797 440 1 8 . 1 1 13 13 CYS H H 13 8.487 8.487 8.287 0.200 17797 441 1 8 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.172 0.208 17797 442 1 8 . 1 1 15 15 SER HA H 15 3.934 3.934 4.269 -0.335 17797 443 1 8 . 1 1 15 15 SER H H 15 8.294 8.294 7.252 1.042 17797 444 1 8 . 1 1 16 16 HIS HA H 16 4.309 4.309 3.845 0.464 17797 445 1 8 . 1 1 16 16 HIS H H 16 8.331 8.331 7.795 0.536 17797 446 1 8 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.856 0.573 17797 447 1 8 . 1 1 17 17 LEU H H 17 7.606 7.606 7.908 -0.302 17797 448 1 8 . 1 1 18 18 ILE HA H 18 4.347 4.347 3.876 0.471 17797 449 1 8 . 1 1 18 18 ILE H H 18 8.946 8.946 8.004 0.942 17797 450 1 8 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.627 0.171 17797 451 1 8 . 1 1 19 19 LYS H H 19 8.568 8.568 8.618 -0.050 17797 452 1 8 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.510 -0.082 17797 453 1 8 . 1 1 20 20 VAL H H 20 8.803 8.803 8.935 -0.132 17797 454 1 8 . 1 1 21 21 GLY H H 21 7.805 7.805 7.940 -0.135 17797 455 1 8 . 1 1 22 22 SER HA H 22 5.031 5.031 4.544 0.487 17797 456 1 8 . 1 1 22 22 SER H H 22 8.728 8.728 8.194 0.534 17797 457 1 8 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.480 0.269 17797 458 1 8 . 1 1 23 23 CYS H H 23 8.094 8.094 8.478 -0.384 17797 459 1 8 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.525 -0.364 17797 460 1 8 . 1 1 24 24 PHE H H 24 7.759 7.759 7.303 0.456 17797 461 1 8 . 1 1 25 25 GLY H H 25 8.254 8.254 8.494 -0.240 17797 462 1 8 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.594 -0.221 17797 463 1 8 . 1 1 26 26 PHE H H 26 8.271 8.271 7.873 0.398 17797 464 1 8 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.690 -0.116 17797 465 1 8 . 1 1 27 27 ARG H H 27 7.063 7.063 7.533 -0.470 17797 466 1 8 . 1 1 28 28 SER HA H 28 4.596 4.596 4.180 0.416 17797 467 1 8 . 1 1 28 28 SER H H 28 9.136 9.136 8.099 1.037 17797 468 1 8 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.409 0.437 17797 469 1 8 . 1 1 29 29 CYS H H 29 8.592 8.592 8.320 0.272 17797 470 1 8 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.701 -0.187 17797 471 1 8 . 1 1 30 30 CYS H H 30 8.991 8.991 9.036 -0.045 17797 472 1 8 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.684 0.062 17797 473 1 8 . 1 1 31 31 LYS H H 31 9.313 9.313 8.255 1.058 17797 474 1 8 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.425 0.134 17797 475 1 8 . 1 1 32 32 TRP H H 32 8.387 8.387 8.740 -0.353 17797 476 1 8 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.041 0.113 17797 477 1 8 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.638 0.125 17797 478 1 8 . 1 1 34 34 TRP H H 34 6.993 6.993 7.245 -0.252 17797 479 1 8 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.542 0.311 17797 480 1 8 . 1 1 35 35 ASN H H 35 7.914 7.914 7.861 0.053 17797 481 1 9 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.309 0.361 17797 482 1 9 . 1 1 2 2 PHE H H 2 8.751 8.751 9.134 -0.383 17797 483 1 9 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.328 0.038 17797 484 1 9 . 1 1 3 3 CYS H H 3 8.885 8.885 8.525 0.360 17797 485 1 9 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.329 -0.289 17797 486 1 9 . 1 1 4 4 LYS H H 4 8.278 8.278 7.985 0.293 17797 487 1 9 . 1 1 5 5 GLY H H 5 9.033 9.033 8.056 0.977 17797 488 1 9 . 1 1 6 6 GLY H H 6 7.745 7.745 7.791 -0.046 17797 489 1 9 . 1 1 7 7 SER HA H 7 4.793 4.793 4.763 0.030 17797 490 1 9 . 1 1 7 7 SER H H 7 8.748 8.748 8.329 0.419 17797 491 1 9 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.912 0.742 17797 492 1 9 . 1 1 8 8 CYS H H 8 8.799 8.799 8.589 0.210 17797 493 1 9 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.502 0.256 17797 494 1 9 . 1 1 9 9 HIS H H 9 9.427 9.427 9.031 0.396 17797 495 1 9 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.376 0.174 17797 496 1 9 . 1 1 10 10 PHE H H 10 9.255 9.255 8.799 0.456 17797 497 1 9 . 1 1 11 11 GLY H H 11 8.642 8.642 7.901 0.741 17797 498 1 9 . 1 1 12 12 GLY H H 12 7.976 7.976 7.998 -0.022 17797 499 1 9 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.263 0.506 17797 500 1 9 . 1 1 13 13 CYS H H 13 8.487 8.487 8.206 0.282 17797 501 1 9 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.107 0.273 17797 502 1 9 . 1 1 15 15 SER HA H 15 3.934 3.934 4.344 -0.410 17797 503 1 9 . 1 1 15 15 SER H H 15 8.294 8.294 6.980 1.314 17797 504 1 9 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.566 -0.257 17797 505 1 9 . 1 1 16 16 HIS H H 16 8.331 8.331 8.435 -0.104 17797 506 1 9 . 1 1 17 17 LEU HA H 17 4.429 4.429 4.178 0.251 17797 507 1 9 . 1 1 17 17 LEU H H 17 7.606 7.606 7.783 -0.177 17797 508 1 9 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.285 0.062 17797 509 1 9 . 1 1 18 18 ILE H H 18 8.946 8.946 7.926 1.020 17797 510 1 9 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.401 0.397 17797 511 1 9 . 1 1 19 19 LYS H H 19 8.568 8.568 8.543 0.025 17797 512 1 9 . 1 1 20 20 VAL HA H 20 4.428 4.428 3.898 0.530 17797 513 1 9 . 1 1 20 20 VAL H H 20 8.803 8.803 8.358 0.445 17797 514 1 9 . 1 1 21 21 GLY H H 21 7.805 7.805 7.712 0.093 17797 515 1 9 . 1 1 22 22 SER HA H 22 5.031 5.031 4.862 0.169 17797 516 1 9 . 1 1 22 22 SER H H 22 8.728 8.728 8.256 0.472 17797 517 1 9 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.665 0.084 17797 518 1 9 . 1 1 23 23 CYS H H 23 8.094 8.094 9.080 -0.986 17797 519 1 9 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.618 -0.457 17797 520 1 9 . 1 1 24 24 PHE H H 24 7.759 7.759 7.789 -0.030 17797 521 1 9 . 1 1 25 25 GLY H H 25 8.254 8.254 7.925 0.329 17797 522 1 9 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.063 0.310 17797 523 1 9 . 1 1 26 26 PHE H H 26 8.271 8.271 8.295 -0.024 17797 524 1 9 . 1 1 27 27 ARG HA H 27 4.574 4.574 3.995 0.579 17797 525 1 9 . 1 1 27 27 ARG H H 27 7.063 7.063 7.596 -0.533 17797 526 1 9 . 1 1 28 28 SER HA H 28 4.596 4.596 4.445 0.151 17797 527 1 9 . 1 1 28 28 SER H H 28 9.136 9.136 8.084 1.052 17797 528 1 9 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.667 0.179 17797 529 1 9 . 1 1 29 29 CYS H H 29 8.592 8.592 8.328 0.264 17797 530 1 9 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.667 -0.153 17797 531 1 9 . 1 1 30 30 CYS H H 30 8.991 8.991 9.021 -0.030 17797 532 1 9 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.672 0.074 17797 533 1 9 . 1 1 31 31 LYS H H 31 9.313 9.313 8.106 1.207 17797 534 1 9 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.688 -0.129 17797 535 1 9 . 1 1 32 32 TRP H H 32 8.387 8.387 8.806 -0.419 17797 536 1 9 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.025 0.129 17797 537 1 9 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.774 -0.011 17797 538 1 9 . 1 1 34 34 TRP H H 34 6.993 6.993 8.582 -1.589 17797 539 1 9 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.551 0.302 17797 540 1 9 . 1 1 35 35 ASN H H 35 7.914 7.914 7.939 -0.025 17797 541 1 10 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.377 0.293 17797 542 1 10 . 1 1 2 2 PHE H H 2 8.751 8.751 8.431 0.320 17797 543 1 10 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.366 -0.000 17797 544 1 10 . 1 1 3 3 CYS H H 3 8.885 8.885 8.188 0.697 17797 545 1 10 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.080 -0.040 17797 546 1 10 . 1 1 4 4 LYS H H 4 8.278 8.278 8.862 -0.584 17797 547 1 10 . 1 1 5 5 GLY H H 5 9.033 9.033 8.577 0.456 17797 548 1 10 . 1 1 6 6 GLY H H 6 7.745 7.745 8.412 -0.667 17797 549 1 10 . 1 1 7 7 SER HA H 7 4.793 4.793 4.744 0.049 17797 550 1 10 . 1 1 7 7 SER H H 7 8.748 8.748 8.026 0.722 17797 551 1 10 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.713 0.941 17797 552 1 10 . 1 1 8 8 CYS H H 8 8.799 8.799 9.193 -0.394 17797 553 1 10 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.181 0.577 17797 554 1 10 . 1 1 9 9 HIS H H 9 9.427 9.427 8.432 0.995 17797 555 1 10 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.552 -0.002 17797 556 1 10 . 1 1 10 10 PHE H H 10 9.255 9.255 7.864 1.391 17797 557 1 10 . 1 1 11 11 GLY H H 11 8.642 8.642 7.351 1.291 17797 558 1 10 . 1 1 12 12 GLY H H 12 7.976 7.976 8.494 -0.518 17797 559 1 10 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.123 0.646 17797 560 1 10 . 1 1 13 13 CYS H H 13 8.487 8.487 8.009 0.478 17797 561 1 10 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.150 0.230 17797 562 1 10 . 1 1 15 15 SER HA H 15 3.934 3.934 4.270 -0.336 17797 563 1 10 . 1 1 15 15 SER H H 15 8.294 8.294 7.320 0.974 17797 564 1 10 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.130 0.179 17797 565 1 10 . 1 1 16 16 HIS H H 16 8.331 8.331 8.180 0.151 17797 566 1 10 . 1 1 17 17 LEU HA H 17 4.429 4.429 4.091 0.338 17797 567 1 10 . 1 1 17 17 LEU H H 17 7.606 7.606 8.063 -0.457 17797 568 1 10 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.016 0.331 17797 569 1 10 . 1 1 18 18 ILE H H 18 8.946 8.946 8.011 0.935 17797 570 1 10 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.122 0.676 17797 571 1 10 . 1 1 19 19 LYS H H 19 8.568 8.568 8.434 0.134 17797 572 1 10 . 1 1 20 20 VAL HA H 20 4.428 4.428 3.896 0.532 17797 573 1 10 . 1 1 20 20 VAL H H 20 8.803 8.803 8.839 -0.036 17797 574 1 10 . 1 1 21 21 GLY H H 21 7.805 7.805 7.664 0.141 17797 575 1 10 . 1 1 22 22 SER HA H 22 5.031 5.031 5.195 -0.164 17797 576 1 10 . 1 1 22 22 SER H H 22 8.728 8.728 8.366 0.362 17797 577 1 10 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.567 0.182 17797 578 1 10 . 1 1 23 23 CYS H H 23 8.094 8.094 8.793 -0.699 17797 579 1 10 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.446 -0.285 17797 580 1 10 . 1 1 24 24 PHE H H 24 7.759 7.759 8.704 -0.945 17797 581 1 10 . 1 1 25 25 GLY H H 25 8.254 8.254 8.674 -0.420 17797 582 1 10 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.680 -0.307 17797 583 1 10 . 1 1 26 26 PHE H H 26 8.271 8.271 7.630 0.641 17797 584 1 10 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.759 -0.185 17797 585 1 10 . 1 1 27 27 ARG H H 27 7.063 7.063 8.199 -1.136 17797 586 1 10 . 1 1 28 28 SER HA H 28 4.596 4.596 4.622 -0.026 17797 587 1 10 . 1 1 28 28 SER H H 28 9.136 9.136 8.681 0.455 17797 588 1 10 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.611 0.235 17797 589 1 10 . 1 1 29 29 CYS H H 29 8.592 8.592 8.288 0.304 17797 590 1 10 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.360 0.154 17797 591 1 10 . 1 1 30 30 CYS H H 30 8.991 8.991 9.152 -0.161 17797 592 1 10 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.763 -0.017 17797 593 1 10 . 1 1 31 31 LYS H H 31 9.313 9.313 8.946 0.367 17797 594 1 10 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.840 -0.281 17797 595 1 10 . 1 1 32 32 TRP H H 32 8.387 8.387 9.023 -0.636 17797 596 1 10 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.118 0.036 17797 597 1 10 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.485 0.278 17797 598 1 10 . 1 1 34 34 TRP H H 34 6.993 6.993 8.677 -1.684 17797 599 1 10 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.938 -0.085 17797 600 1 10 . 1 1 35 35 ASN H H 35 7.914 7.914 8.148 -0.234 17797 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 17797 2 1 1 "Average Difference" HA 40 0.382 -0.132 0.363 17797 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17797 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17797 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17797 6 1 1 "Average Difference" HN 32 0.526 -0.172 0.505 17797 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17797 8 1 2 "Average Difference" HA 40 0.331 -0.123 0.311 17797 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17797 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17797 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17797 12 1 2 "Average Difference" HN 32 0.540 -0.045 0.546 17797 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17797 14 1 3 "Average Difference" HA 40 0.333 -0.180 0.284 17797 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17797 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17797 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17797 18 1 3 "Average Difference" HN 32 0.631 -0.128 0.628 17797 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17797 20 1 4 "Average Difference" HA 40 0.353 -0.111 0.339 17797 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17797 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17797 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17797 24 1 4 "Average Difference" HN 32 0.527 -0.144 0.515 17797 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17797 26 1 5 "Average Difference" HA 40 0.372 -0.155 0.342 17797 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17797 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17797 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17797 30 1 5 "Average Difference" HN 32 0.469 -0.146 0.453 17797 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17797 32 1 6 "Average Difference" HA 40 0.392 -0.184 0.350 17797 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17797 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17797 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17797 36 1 6 "Average Difference" HN 32 0.639 -0.206 0.615 17797 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17797 38 1 7 "Average Difference" HA 40 0.347 -0.156 0.314 17797 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17797 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17797 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17797 42 1 7 "Average Difference" HN 32 0.634 -0.206 0.609 17797 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17797 44 1 8 "Average Difference" HA 40 0.381 -0.162 0.349 17797 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17797 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17797 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17797 48 1 8 "Average Difference" HN 32 0.531 -0.200 0.500 17797 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17797 50 1 9 "Average Difference" HA 40 0.320 -0.127 0.298 17797 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17797 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17797 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17797 54 1 9 "Average Difference" HN 32 0.624 -0.187 0.605 17797 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17797 56 1 10 "Average Difference" HA 40 0.330 -0.095 0.320 17797 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17797 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17797 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17797 60 1 10 "Average Difference" HN 32 0.720 -0.070 0.728 17797 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17797 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PHE HA H 2 4.670 4.670 4.537 0.134 17797 2 1 . 1 1 2 2 PHE H H 2 8.751 8.751 8.731 0.020 17797 3 1 . 1 1 3 3 CYS HA H 3 4.366 4.366 4.229 0.137 17797 4 1 . 1 1 3 3 CYS H H 3 8.885 8.885 8.514 0.372 17797 5 1 . 1 1 4 4 LYS HA H 4 4.040 4.040 4.026 0.014 17797 6 1 . 1 1 4 4 LYS H H 4 8.278 8.278 8.467 -0.189 17797 7 1 . 1 1 5 5 GLY H H 5 9.033 9.033 8.367 0.666 17797 8 1 . 1 1 6 6 GLY H H 6 7.745 7.745 7.702 0.043 17797 9 1 . 1 1 7 7 SER HA H 7 4.793 4.793 4.663 0.130 17797 10 1 . 1 1 7 7 SER H H 7 8.748 8.748 8.317 0.431 17797 11 1 . 1 1 8 8 CYS HA H 8 5.654 5.654 4.455 1.199 17797 12 1 . 1 1 8 8 CYS H H 8 8.799 8.799 8.897 -0.099 17797 13 1 . 1 1 9 9 HIS HA H 9 4.758 4.758 4.450 0.308 17797 14 1 . 1 1 9 9 HIS H H 9 9.427 9.427 8.644 0.783 17797 15 1 . 1 1 10 10 PHE HA H 10 4.550 4.550 4.411 0.139 17797 16 1 . 1 1 10 10 PHE H H 10 9.255 9.255 8.467 0.788 17797 17 1 . 1 1 11 11 GLY H H 11 8.642 8.642 8.285 0.357 17797 18 1 . 1 1 12 12 GLY H H 12 7.976 7.976 7.916 0.060 17797 19 1 . 1 1 13 13 CYS HA H 13 4.769 4.769 4.516 0.253 17797 20 1 . 1 1 13 13 CYS H H 13 8.487 8.487 8.183 0.304 17797 21 1 . 1 1 14 14 PRO HA H 14 4.380 4.380 4.188 0.192 17797 22 1 . 1 1 15 15 SER HA H 15 3.934 3.934 4.273 -0.339 17797 23 1 . 1 1 15 15 SER H H 15 8.294 8.294 7.581 0.713 17797 24 1 . 1 1 16 16 HIS HA H 16 4.309 4.309 4.312 -0.003 17797 25 1 . 1 1 16 16 HIS H H 16 8.331 8.331 8.022 0.309 17797 26 1 . 1 1 17 17 LEU HA H 17 4.429 4.429 3.951 0.478 17797 27 1 . 1 1 17 17 LEU H H 17 7.606 7.606 7.764 -0.158 17797 28 1 . 1 1 18 18 ILE HA H 18 4.347 4.347 4.085 0.262 17797 29 1 . 1 1 18 18 ILE H H 18 8.946 8.946 8.085 0.861 17797 30 1 . 1 1 19 19 LYS HA H 19 4.798 4.798 4.336 0.462 17797 31 1 . 1 1 19 19 LYS H H 19 8.568 8.568 8.555 0.013 17797 32 1 . 1 1 20 20 VAL HA H 20 4.428 4.428 4.140 0.288 17797 33 1 . 1 1 20 20 VAL H H 20 8.803 8.803 8.691 0.113 17797 34 1 . 1 1 21 21 GLY H H 21 7.805 7.805 7.733 0.072 17797 35 1 . 1 1 22 22 SER HA H 22 5.031 5.031 4.860 0.171 17797 36 1 . 1 1 22 22 SER H H 22 8.728 8.728 8.179 0.549 17797 37 1 . 1 1 23 23 CYS HA H 23 4.749 4.749 4.623 0.126 17797 38 1 . 1 1 23 23 CYS H H 23 8.094 8.094 8.685 -0.591 17797 39 1 . 1 1 24 24 PHE HA H 24 4.161 4.161 4.494 -0.333 17797 40 1 . 1 1 24 24 PHE H H 24 7.759 7.759 8.171 -0.412 17797 41 1 . 1 1 25 25 GLY H H 25 8.254 8.254 8.197 0.057 17797 42 1 . 1 1 26 26 PHE HA H 26 4.373 4.373 4.309 0.064 17797 43 1 . 1 1 26 26 PHE H H 26 8.271 8.271 8.153 0.118 17797 44 1 . 1 1 27 27 ARG HA H 27 4.574 4.574 4.439 0.135 17797 45 1 . 1 1 27 27 ARG H H 27 7.063 7.063 7.870 -0.807 17797 46 1 . 1 1 28 28 SER HA H 28 4.596 4.596 4.341 0.255 17797 47 1 . 1 1 28 28 SER H H 28 9.136 9.136 8.260 0.876 17797 48 1 . 1 1 29 29 CYS HA H 29 4.846 4.846 4.463 0.383 17797 49 1 . 1 1 29 29 CYS H H 29 8.592 8.592 8.435 0.157 17797 50 1 . 1 1 30 30 CYS HA H 30 5.514 5.514 5.275 0.239 17797 51 1 . 1 1 30 30 CYS H H 30 8.991 8.991 9.061 -0.070 17797 52 1 . 1 1 31 31 LYS HA H 31 4.746 4.746 4.676 0.070 17797 53 1 . 1 1 31 31 LYS H H 31 9.313 9.313 8.389 0.924 17797 54 1 . 1 1 32 32 TRP HA H 32 4.559 4.559 4.525 0.034 17797 55 1 . 1 1 32 32 TRP H H 32 8.387 8.387 8.774 -0.387 17797 56 1 . 1 1 33 33 PRO HA H 33 4.154 4.154 4.132 0.022 17797 57 1 . 1 1 34 34 TRP HA H 34 4.763 4.763 4.704 0.058 17797 58 1 . 1 1 34 34 TRP H H 34 6.993 6.993 7.870 -0.877 17797 59 1 . 1 1 35 35 ASN HA H 35 4.853 4.853 4.709 0.144 17797 60 1 . 1 1 35 35 ASN H H 35 7.914 7.914 8.091 -0.177 17797 stop_ save_