============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 32 0.900 -7.813 60.840 15.595 -99.200 -91.000 PHE 39 1.000 9.824 73.104 16.003 -99.200 -91.000 TYR 53 0.840 22.052 80.372 24.485 -99.200 -91.000 HIS 63 0.900 19.670 91.714 19.998 -99.200 -91.000 HIS 66 0.900 13.770 85.701 19.315 -99.200 -91.000 PHE 69 1.000 16.220 78.650 21.138 -99.200 -91.000 TRP 74 1.040 10.555 80.808 9.622 -99.200 -91.000 TRP6 74 1.020 8.661 80.931 8.222 -99.200 -91.000 TYR 95 0.840 4.907 76.460 15.847 -99.200 -91.000 PHE 97 1.000 2.178 80.290 20.192 -99.200 -91.000 PHE 102 1.000 11.488 80.027 28.323 -99.200 -91.000 PHE 109 1.000 16.626 90.616 23.178 -99.200 -91.000 TRP 113 1.040 14.016 92.682 17.045 -99.200 -91.000 TRP6 113 1.020 15.080 90.671 17.694 -99.200 -91.000 PHE 129 1.000 0.955 78.674 29.606 -99.200 -91.000 PHE 143 1.000 14.361 76.352 39.081 -99.200 -91.000 HIS 145 0.900 22.787 70.422 32.914 -99.200 -91.000 TYR 148 0.840 17.080 80.965 28.183 -99.200 -91.000 PHE 153 1.000 15.134 84.058 31.271 -99.200 -91.000 PHE 161 1.000 5.177 80.663 27.490 -99.200 -91.000 HIS 162 0.900 -0.082 84.240 32.546 -99.200 -91.000 TRP 172 1.040 -3.343 81.613 23.138 -99.200 -91.000 TRP6 172 1.020 -1.227 80.872 23.867 -99.200 -91.000 HIS 185 0.900 -3.526 60.997 27.534 -99.200 -91.000 TRP 208 1.040 1.723 85.779 16.700 -99.200 -91.000 TRP6 208 1.020 3.772 84.965 17.528 -99.200 -91.000