============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.603 -10.939 -5.387 -99.200 -91.000 TRP6 12 1.020 -4.508 -11.058 -7.571 -99.200 -91.000 TYR 20 0.840 1.232 7.643 8.572 -99.200 -91.000 TRP 26 1.040 8.746 2.793 9.648 -99.200 -91.000 TRP6 26 1.020 9.034 4.463 8.016 -99.200 -91.000 HIS 28 0.900 -1.522 -0.182 4.339 -99.200 -91.000 TRP 39 1.040 10.719 4.872 -11.539 -99.200 -91.000 TRP6 39 1.020 10.102 7.091 -11.090 -99.200 -91.000 HIS 45 0.900 -6.692 9.166 -2.352 -99.200 -91.000 PHE 53 1.000 4.038 9.498 2.271 -99.200 -91.000 HIS 60 0.900 -0.294 -12.896 3.192 -99.200 -91.000 TYR 71 0.840 10.513 -4.025 6.137 -99.200 -91.000 HIS 80 0.900 -1.622 13.953 -14.631 -99.200 -91.000 TYR 82 0.840 -4.066 19.595 -16.624 -99.200 -91.000 TRP 83 1.040 -3.892 15.294 -6.538 -99.200 -91.000 TRP6 83 1.020 -5.914 14.129 -6.342 -99.200 -91.000 TYR 91 0.840 -6.222 14.941 -15.130 -99.200 -91.000 TYR 107 0.840 7.275 -15.161 -1.268 -99.200 -91.000 TYR 127 0.840 -10.148 -12.157 -7.690 -99.200 -91.000 TRP 131 1.040 -1.886 -5.678 3.950 -99.200 -91.000 TRP6 131 1.020 -0.480 -5.189 2.101 -99.200 -91.000 TYR 148 0.840 -15.239 -11.969 -9.595 -99.200 -91.000 TYR 154 0.840 -18.594 7.706 -18.891 -99.200 -91.000 TYR 160 0.840 -25.045 1.696 -11.144 -99.200 -91.000 TRP 161 1.040 -19.660 6.092 -8.126 -99.200 -91.000 TRP6 161 1.020 -19.129 7.294 -6.188 -99.200 -91.000 HIS 190 0.900 -3.929 -7.143 -8.680 -99.200 -91.000 TYR 197 0.840 -5.899 -12.296 -12.549 -99.200 -91.000 HIS 200 0.900 -7.030 -3.599 -17.586 -99.200 -91.000 PHE 205 1.000 -14.196 8.728 -6.708 -99.200 -91.000 PHE 220 1.000 -10.877 0.106 -8.378 -99.200 -91.000 TYR 226 0.840 -4.187 9.060 -15.866 -99.200 -91.000 TRP 229 1.040 2.028 11.756 -15.956 -99.200 -91.000 TRP6 229 1.020 1.997 10.566 -13.928 -99.200 -91.000