============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 76 rings ring int. center anis. iso. TYR 5 0.840 -84.943 74.507 -14.087 -99.200 -91.000 PHE 16 1.000 -70.757 66.166 -17.371 -99.200 -91.000 HIS 21 0.900 -66.429 58.254 -8.131 -99.200 -91.000 TYR 23 0.840 -68.379 56.766 -19.222 -99.200 -91.000 HIS 25 0.900 -73.558 57.244 -15.592 -99.200 -91.000 HIS 28 0.900 -83.965 65.230 -12.174 -99.200 -91.000 PHE 54 1.000 -45.875 73.973 -4.202 -99.200 -91.000 PHE 56 1.000 -47.885 62.678 -1.444 -99.200 -91.000 HIS 57 0.900 -44.617 64.287 -9.843 -99.200 -91.000 HIS 61 0.900 -57.034 65.945 -6.741 -99.200 -91.000 PHE 64 1.000 -66.531 71.077 -13.270 -99.200 -91.000 HIS 66 0.900 -64.591 66.495 -3.433 -99.200 -91.000 TYR 71 0.840 -74.786 64.535 -10.062 -99.200 -91.000 PHE 81 1.000 -79.912 55.109 0.924 -99.200 -91.000 TYR 85 0.840 -81.726 48.822 1.283 -99.200 -91.000 TRP 95 1.040 -84.291 57.612 -1.276 -99.200 -91.000 TRP6 95 1.020 -83.181 59.538 -0.467 -99.200 -91.000 HIS 110 0.900 -69.396 69.030 -1.499 -99.200 -91.000 HIS 114 0.900 -63.723 74.605 0.368 -99.200 -91.000 TYR 117 0.840 -53.008 77.912 -3.036 -99.200 -91.000 HIS 119 0.900 -55.694 75.631 7.333 -99.200 -91.000 PHE 121 1.000 -58.313 84.457 0.326 -99.200 -91.000 HIS 123 0.900 -53.755 82.089 10.251 -99.200 -91.000 PHE 125 1.000 -56.263 87.730 2.481 -99.200 -91.000 HIS 129 0.900 -65.038 76.001 3.960 -99.200 -91.000 TYR 145 0.840 -82.135 83.493 -5.615 -99.200 -91.000 PHE 155 1.000 -84.654 72.717 -4.848 -99.200 -91.000 TYR 167 0.840 -84.464 68.917 3.669 -99.200 -91.000 TYR 187 0.840 -62.344 64.463 1.723 -99.200 -91.000 TYR 193 0.840 -57.101 57.732 -11.043 -99.200 -91.000 PHE 194 1.000 -56.956 63.077 -10.249 -99.200 -91.000 TYR 199 0.840 -50.546 55.780 1.650 -99.200 -91.000 PHE 202 1.000 -63.552 54.141 0.320 -99.200 -91.000 TYR 214 0.840 -80.900 54.772 11.304 -99.200 -91.000 PHE 220 1.000 -72.647 52.971 6.093 -99.200 -91.000 HIS 226 0.900 -64.793 42.006 8.571 -99.200 -91.000 TYR 231 0.840 -65.035 56.267 5.399 -99.200 -91.000 TYR 236 0.840 -54.074 55.982 11.322 -99.200 -91.000 TYR 239 0.840 -58.000 62.334 8.133 -99.200 -91.000 TYR 243 0.840 -56.116 64.207 3.058 -99.200 -91.000 PHE 244 1.000 -53.145 65.148 9.763 -99.200 -91.000 HIS 245 0.900 -44.754 64.656 3.114 -99.200 -91.000 HIS 257 0.900 -45.167 82.806 8.455 -99.200 -91.000 HIS 260 0.900 -49.327 88.530 9.108 -99.200 -91.000 PHE 266 1.000 -54.161 97.903 0.070 -99.200 -91.000 PHE 271 1.000 -44.831 98.432 0.833 -99.200 -91.000 TYR 273 0.840 -41.675 101.245 -2.600 -99.200 -91.000 PHE 283 1.000 -61.287 88.973 -0.807 -99.200 -91.000 PHE 284 1.000 -53.626 92.611 0.009 -99.200 -91.000 PHE 288 1.000 -64.923 89.102 2.082 -99.200 -91.000 TYR 293 0.840 -64.716 83.805 -1.555 -99.200 -91.000 TYR 304 0.840 -53.147 89.721 -7.937 -99.200 -91.000 PHE 305 1.000 -48.774 84.172 -3.984 -99.200 -91.000 TRP 308 1.040 -47.327 90.834 -4.647 -99.200 -91.000 TRP6 308 1.020 -4