============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 -65.069 2.650 -24.026 -99.200 -91.000 TYR 9 0.840 -52.440 -4.284 -39.504 -99.200 -91.000 HIS 17 0.900 -45.915 0.184 -48.938 -99.200 -91.000 TYR 25 0.840 -42.169 5.935 -30.513 -99.200 -91.000 HIS 26 0.900 -50.947 6.693 -35.652 -99.200 -91.000 TYR 27 0.840 -52.184 -1.177 -31.196 -99.200 -91.000 HIS 30 0.900 -49.017 9.752 -30.778 -99.200 -91.000 HIS 31 0.900 -56.200 3.079 -31.020 -99.200 -91.000 TYR 34 0.840 -55.814 10.172 -29.024 -99.200 -91.000 PHE 47 1.000 -70.329 11.637 -21.415 -99.200 -91.000 PHE 64 1.000 -66.070 14.951 -30.485 -99.200 -91.000 TRP 71 1.040 -65.700 4.563 -34.122 -99.200 -91.000 TRP6 71 1.020 -65.435 5.338 -36.343 -99.200 -91.000 HIS 73 0.900 -55.747 7.356 -33.541 -99.200 -91.000 PHE 75 1.000 -63.495 3.652 -40.508 -99.200 -91.000 TYR 76 0.840 -54.353 5.194 -39.813 -99.200 -91.000 TRP 77 1.040 -54.691 1.175 -35.336 -99.200 -91.000 TRP6 77 1.020 -52.725 2.157 -36.204 -99.200 -91.000 PHE 100 1.000 -65.695 10.050 -55.163 -99.200 -91.000 PHE 103 1.000 -59.182 3.455 -56.696 -99.200 -91.000 PHE 106 1.000 -61.584 7.264 -53.483 -99.200 -91.000 PHE 110 1.000 -58.883 9.425 -48.955 -99.200 -91.000 PHE 118 1.000 -52.785 25.334 -41.554 -99.200 -91.000 TRP 122 1.040 -58.531 11.708 -37.785 -99.200 -91.000 TRP6 122 1.020 -57.702 9.494 -37.740 -99.200 -91.000 TRP 124 1.040 -62.917 11.372 -41.934 -99.200 -91.000 TRP6 124 1.020 -62.893 9.581 -40.389 -99.200 -91.000 TRP 158 1.040 -54.520 14.051 -35.465 -99.200 -91.000 TRP6 158 1.020 -54.225 14.925 -33.288 -99.200 -91.000 HIS 160 0.900 -50.564 11.145 -34.030 -99.200 -91.000 TYR 162 0.840 -47.559 13.370 -42.039 -99.200 -91.000 TYR 163 0.840 -42.238 15.543 -38.873 -99.200 -91.000 TYR 166 0.840 -43.824 8.036 -45.716 -99.200 -91.000 TYR 173 0.840 -49.610 9.021 -43.921 -99.200 -91.000 HIS 176 0.900 -44.460 4.580 -49.963 -99.200 -91.000 PHE 177 1.000 -54.807 5.719 -47.098 -99.200 -91.000 TRP 178 1.040 -53.709 6.566 -52.446 -99.200 -91.000 TRP6 178 1.020 -56.043 6.369 -52.138 -99.200 -91.000 TRP 183 1.040 -59.021 -1.137 -51.875 -99.200 -91.000 TRP6 183 1.020 -60.038 0.998 -51.776 -99.200 -91.000 PHE 185 1.000 -62.912 -1.324 -41.528 -99.200 -91.000