============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 11 0.840 -13.320 70.851 9.439 -99.200 -91.000 PHE 30 1.000 -25.998 55.570 -7.127 -99.200 -91.000 TYR 34 0.840 -20.990 59.578 -7.348 -99.200 -91.000 HIS 35 0.900 -23.848 64.371 -7.068 -99.200 -91.000 HIS 40 0.900 -21.808 65.712 4.079 -99.200 -91.000 PHE 44 1.000 -21.064 56.739 9.350 -99.200 -91.000 PHE 62 1.000 -22.109 54.235 -4.479 -99.200 -91.000 HIS 66 0.900 -11.173 42.226 -4.529 -99.200 -91.000 HIS 68 0.900 -10.314 39.194 0.061 -99.200 -91.000 TYR 71 0.840 -10.747 38.974 4.476 -99.200 -91.000 HIS 73 0.900 -18.724 33.217 -1.606 -99.200 -91.000 HIS 86 0.900 -14.883 34.030 15.561 -99.200 -91.000 TRP 96 1.040 -5.789 56.237 13.108 -99.200 -91.000 TRP6 96 1.020 -7.984 56.983 12.660 -99.200 -91.000 HIS 97 0.900 -7.430 50.107 7.981 -99.200 -91.000 PHE 102 1.000 -1.984 45.419 -0.278 -99.200 -91.000 TRP 126 1.040 -14.675 55.789 7.541 -99.200 -91.000 TRP6 126 1.020 -16.245 54.682 8.918 -99.200 -91.000 TYR 133 0.840 -3.451 69.839 0.725 -99.200 -91.000 PHE 140 1.000 5.159 70.675 7.727 -99.200 -91.000 HIS 151 0.900 0.821 54.063 -0.015 -99.200 -91.000 PHE 153 1.000 0.634 41.569 1.958 -99.200 -91.000 PHE 157 1.000 -1.359 41.854 5.504 -99.200 -91.000 TYR 160 0.840 6.597 41.231 14.490 -99.200 -91.000 TYR 162 0.840 1.405 37.130 8.929 -99.200 -91.000 HIS 169 0.900 8.504 32.432 6.843 -99.200 -91.000 TRP 172 1.040 5.071 37.660 5.438 -99.200 -91.000 TRP6 172 1.020 7.311 38.093 4.816 -99.200 -91.000 HIS 184 0.900 -0.654 54.146 -4.671 -99.200 -91.000 HIS 190 0.900 -12.662 62.442 -5.021 -99.200 -91.000 PHE 199 1.000 -4.214 57.550 -1.435 -99.200 -91.000 PHE 204 1.000 -1.976 48.303 3.683 -99.200 -91.000 PHE 222 1.000 2.773 67.259 10.925 -99.200 -91.000 PHE 224 1.000 2.321 57.164 9.013 -99.200 -91.000 HIS 226 0.900 -2.284 67.431 10.363 -99.200 -91.000 PHE 232 1.000 -7.290 67.372 10.851 -99.200 -91.000 TRP 236 1.040 -22.107 54.367 12.539 -99.200 -91.000 TRP6 236 1.020 -23.675 56.135 12.462 -99.200 -91.000 TRP 238 1.040 -19.928 50.037 13.407 -99.200 -91.000 TRP6 238 1.020 -20.457 50.261 11.116 -99.200 -91.000 TRP 246 1.040 -14.676 53.642 3.530 -99.200 -91.000 TRP6 246 1.020 -15.634 51.715 4.510 -99.200 -91.000 HIS 253 0.900 -11.407 51.752 7.006 -99.200 -91.000 TYR 254 0.840 -7.833 52.717 15.484 -99.200 -91.000 TYR 259 0.840 -15.248 43.498 18.218 -99.200 -91.000 HIS 267 0.900 -23.265 39.889 5.236 -99.200 -91.000 PHE 277 1.000 -5.539 62.178 -10.873 -99.200 -91.000 TYR 278 0.840 -0.246 67.461 -6.551 -99.200 -91.000