============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 8 1.000 -19.929 4.151 -13.463 -99.200 -91.000 TYR 52 0.840 -9.095 -1.456 -12.465 -99.200 -91.000 TRP 62 1.040 2.839 0.153 -8.052 -99.200 -91.000 TRP6 62 1.020 0.836 0.802 -6.964 -99.200 -91.000 HIS 66 0.900 5.094 10.323 -2.359 -99.200 -91.000 PHE 68 1.000 -0.135 11.330 2.706 -99.200 -91.000 TRP 69 1.040 -5.431 3.968 5.038 -99.200 -91.000 TRP6 69 1.020 -3.188 3.592 4.399 -99.200 -91.000 TYR 74 0.840 -6.342 4.147 18.782 -99.200 -91.000 HIS 94 0.900 -0.992 -8.539 -2.953 -99.200 -91.000 HIS 103 0.900 3.555 9.014 4.784 -99.200 -91.000 PHE 112 1.000 0.906 7.450 18.841 -99.200 -91.000 TYR 123 0.840 -2.358 10.075 9.362 -99.200 -91.000 PHE 140 1.000 -4.122 14.791 1.719 -99.200 -91.000 HIS 143 0.900 -10.011 11.671 1.469 -99.200 -91.000 HIS 152 0.900 -20.084 7.214 8.059 -99.200 -91.000 PHE 157 1.000 -20.225 8.386 11.958 -99.200 -91.000 HIS 159 0.900 -27.224 17.155 13.931 -99.200 -91.000 TRP 198 1.040 -11.952 10.877 -7.823 -99.200 -91.000 TRP6 198 1.020 -10.813 9.216 -9.067 -99.200 -91.000 TRP 235 1.040 -21.370 13.559 -5.558 -99.200 -91.000 TRP6 235 1.020 -21.958 12.640 -3.449 -99.200 -91.000