============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 7 1.000 22.944 22.678 32.015 -99.200 -91.000 TRP 16 1.040 24.119 20.162 50.992 -99.200 -91.000 TRP6 16 1.020 22.093 19.029 50.555 -99.200 -91.000 HIS 31 0.900 11.812 21.567 48.618 -99.200 -91.000 PHE 36 1.000 7.605 34.107 48.024 -99.200 -91.000 TYR 49 0.840 14.595 40.172 30.308 -99.200 -91.000 HIS 52 0.900 12.317 39.627 25.412 -99.200 -91.000 HIS 67 0.900 7.070 22.196 42.099 -99.200 -91.000 HIS 68 0.900 5.072 29.083 49.076 -99.200 -91.000 TYR 89 0.840 23.322 27.142 43.551 -99.200 -91.000 HIS 100 0.900 26.559 46.718 28.032 -99.200 -91.000 PHE 114 1.000 24.922 25.064 34.654 -99.200 -91.000 PHE 123 1.000 14.072 18.740 45.025 -99.200 -91.000 HIS 129 0.900 21.152 8.445 51.492 -99.200 -91.000 PHE 137 1.000 6.981 17.144 48.038 -99.200 -91.000 TYR 138 0.840 12.622 16.606 49.126 -99.200 -91.000 HIS 139 0.900 11.662 9.113 41.615 -99.200 -91.000 HIS 148 0.900 9.818 23.979 36.706 -99.200 -91.000 TYR 149 0.840 18.577 20.874 31.823 -99.200 -91.000 TYR 152 0.840 14.732 29.060 34.026 -99.200 -91.000 HIS 157 0.900 20.231 26.649 22.953 -99.200 -91.000 TYR 159 0.840 15.743 35.843 24.347 -99.200 -91.000 PHE 188 1.000 17.068 21.334 47.728 -99.200 -91.000 HIS 189 0.900 19.341 25.405 45.443 -99.200 -91.000