============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 34 0.900 -5.465 -23.748 -7.523 -99.200 -91.000 TRP 35 1.040 -6.537 -17.469 -12.966 -99.200 -91.000 TRP6 35 1.020 -5.153 -15.687 -13.676 -99.200 -91.000 TYR 36 0.840 -6.171 -17.353 -4.477 -99.200 -91.000 HIS 41 0.900 -6.143 -0.881 4.436 -99.200 -91.000 TYR 50 0.840 -7.110 -28.073 -8.324 -99.200 -91.000 PHE 62 1.000 -14.696 -11.999 -11.767 -99.200 -91.000 PHE 71 1.000 -2.094 -22.720 -16.322 -99.200 -91.000 PHE 83 1.000 -12.773 -1.032 -12.594 -99.200 -91.000 TYR 86 0.840 -8.806 -9.373 -10.910 -99.200 -91.000 PHE 87 1.000 -1.751 -10.602 -6.200 -99.200 -91.000 TRP 94 1.040 6.382 -27.220 0.056 -99.200 -91.000 TRP6 94 1.020 4.391 -26.198 0.803 -99.200 -91.000 TYR 96 0.840 1.015 -26.249 -2.945 -99.200 -91.000 PHE 98 1.000 -0.282 -16.851 -3.503 -99.200 -91.000 PHE 118 1.000 1.792 23.471 0.260 -99.200 -91.000 PHE 135 1.000 0.684 18.058 -0.171 -99.200 -91.000 PHE 139 1.000 -0.839 12.050 -10.828 -99.200 -91.000 TYR 140 0.840 -6.350 7.499 -15.969 -99.200 -91.000 TRP 148 1.040 11.644 17.322 -5.106 -99.200 -91.000 TRP6 148 1.020 10.737 19.213 -4.014 -99.200 -91.000 TRP 163 1.040 3.061 7.689 -6.682 -99.200 -91.000 TRP6 163 1.020 5.223 6.990 -6.023 -99.200 -91.000 TYR 173 0.840 -3.890 6.082 -10.301 -99.200 -91.000 TYR 186 0.840 14.802 25.820 3.178 -99.200 -91.000 HIS 189 0.900 21.810 24.680 -1.816 -99.200 -91.000 TYR 192 0.840 15.378 25.074 -1.538 -99.200 -91.000 HIS 198 0.900 -0.102 13.241 -16.234 -99.200 -91.000 PHE 209 1.000 10.268 27.205 -1.529 -99.200 -91.000