============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 8 0.840 41.315 22.876 58.487 -99.200 -91.000 TRP 9 1.040 36.653 25.916 62.864 -99.200 -91.000 TRP6 9 1.020 35.160 26.160 61.042 -99.200 -91.000 TRP 18 1.040 46.123 35.652 53.418 -99.200 -91.000 TRP6 18 1.020 46.503 37.398 54.970 -99.200 -91.000 TYR 29 0.840 32.983 38.715 52.602 -99.200 -91.000 PHE 35 1.000 32.216 32.513 66.030 -99.200 -91.000 HIS 39 0.900 32.452 43.719 54.666 -99.200 -91.000 PHE 41 1.000 38.153 40.709 51.042 -99.200 -91.000 PHE 53 1.000 40.538 35.174 65.503 -99.200 -91.000 HIS 58 0.900 33.251 31.234 55.180 -99.200 -91.000 TRP 61 1.040 23.936 23.768 54.128 -99.200 -91.000 TRP6 61 1.020 25.606 25.015 53.009 -99.200 -91.000 TYR 69 0.840 25.291 22.568 48.045 -99.200 -91.000 PHE 71 1.000 31.966 26.851 52.703 -99.200 -91.000 TRP 84 1.040 44.153 24.804 45.772 -99.200 -91.000 TRP6 84 1.020 46.106 23.572 45.260 -99.200 -91.000 TYR 89 0.840 38.070 21.149 43.343 -99.200 -91.000 PHE 93 1.000 32.637 12.058 51.769 -99.200 -91.000 HIS 118 0.900 46.197 16.951 51.180 -99.200 -91.000 PHE 119 1.000 39.182 18.273 47.650 -99.200 -91.000 PHE 131 1.000 50.313 26.400 61.588 -99.200 -91.000 PHE 138 1.000 36.227 29.852 69.755 -99.200 -91.000 TYR 146 0.840 47.934 17.072 64.922 -99.200 -91.000 PHE 158 1.000 32.945 22.301 69.619 -99.200 -91.000 TRP 168 1.040 27.405 18.030 57.897 -99.200 -91.000 TRP6 168 1.020 29.596 17.317 57.364 -99.200 -91.000 PHE 170 1.000 30.437 13.623 66.593 -99.200 -91.000 TRP 172 1.040 24.773 14.425 55.043 -99.200 -91.000 TRP6 172 1.020 26.869 14.132 53.986 -99.200 -91.000 PHE 173 1.000 32.359 13.191 57.090 -99.200 -91.000 PHE 181 1.000 38.080 13.296 48.513 -99.200 -91.000 PHE 183 1.000 39.612 15.585 43.157 -99.200 -91.000 HIS 201 0.900 37.082 37.246 37.625 -99.200 -91.000 PHE 206 1.000 36.639 24.370 35.085 -99.200 -91.000