============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 10 1.040 30.835 31.715 -4.395 -99.200 -91.000 TRP6 10 1.020 29.913 30.636 -2.510 -99.200 -91.000 PHE 30 1.000 26.729 22.205 7.164 -99.200 -91.000 PHE 31 1.000 31.868 21.187 5.840 -99.200 -91.000 HIS 32 0.900 28.019 18.991 -3.349 -99.200 -91.000 HIS 38 0.900 23.891 26.793 -2.324 -99.200 -91.000 TYR 47 0.840 20.511 24.799 1.329 -99.200 -91.000 TYR 71 0.840 20.074 37.839 0.194 -99.200 -91.000 HIS 76 0.900 25.643 47.668 -0.058 -99.200 -91.000 TYR 98 0.840 38.449 34.905 3.604 -99.200 -91.000 TYR 104 0.840 30.290 25.594 11.204 -99.200 -91.000 PHE 108 1.000 27.509 36.088 8.265 -99.200 -91.000 HIS 109 0.900 24.670 31.604 10.650 -99.200 -91.000 TYR 114 0.840 19.098 45.144 10.538 -99.200 -91.000 HIS 118 0.900 16.618 48.468 7.681 -99.200 -91.000 TRP 119 1.040 13.804 44.332 0.662 -99.200 -91.000 TRP6 119 1.020 12.115 42.739 0.225 -99.200 -91.000 TRP 121 1.040 10.181 48.785 9.883 -99.200 -91.000 TRP6 121 1.020 8.732 48.208 11.654 -99.200 -91.000 TYR 131 0.840 7.453 33.962 12.227 -99.200 -91.000 PHE 140 1.000 20.259 32.048 14.888 -99.200 -91.000 HIS 145 0.900 11.762 47.429 15.766 -99.200 -91.000 HIS 158 0.900 32.706 35.168 21.678 -99.200 -91.000 HIS 193 0.900 15.661 52.138 20.966 -99.200 -91.000 HIS 233 0.900 38.750 59.898 16.648 -99.200 -91.000 HIS 259 0.900 44.554 45.354 27.532 -99.200 -91.000 PHE 260 1.000 37.760 48.989 30.839 -99.200 -91.000