============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 2 1.000 16.633 32.201 34.647 -99.200 -91.000 TYR 6 0.840 8.615 40.994 27.109 -99.200 -91.000 HIS 15 0.900 -5.615 20.139 3.836 -99.200 -91.000 PHE 18 1.000 -9.329 23.169 6.757 -99.200 -91.000 TYR 21 0.840 -8.404 19.007 16.019 -99.200 -91.000 HIS 33 0.900 -6.754 32.126 24.036 -99.200 -91.000 PHE 42 1.000 3.446 23.764 31.127 -99.200 -91.000 TYR 43 0.840 9.120 28.340 28.244 -99.200 -91.000 HIS 49 0.900 6.550 37.679 30.231 -99.200 -91.000 TRP 58 1.040 0.361 25.806 5.909 -99.200 -91.000 TRP6 58 1.020 2.254 24.415 6.136 -99.200 -91.000 PHE 77 1.000 7.553 25.122 10.581 -99.200 -91.000 TRP 80 1.040 6.781 27.546 4.225 -99.200 -91.000 TRP6 80 1.020 5.743 28.187 6.251 -99.200 -91.000 HIS 91 0.900 7.752 34.053 12.513 -99.200 -91.000 HIS 93 0.900 10.606 28.628 18.423 -99.200 -91.000 PHE 102 1.000 6.631 14.666 13.176 -99.200 -91.000 TYR 111 0.840 16.929 23.095 13.148 -99.200 -91.000 HIS 120 0.900 19.757 26.155 12.081 -99.200 -91.000 HIS 128 0.900 1.437 14.441 22.423 -99.200 -91.000 TRP 134 1.040 -0.869 15.455 29.344 -99.200 -91.000 TRP6 134 1.020 -2.775 14.086 29.505 -99.200 -91.000 HIS 141 0.900 11.129 18.143 25.482 -99.200 -91.000 HIS 145 0.900 15.392 19.796 23.138 -99.200 -91.000 HIS 150 0.900 21.853 21.160 26.467 -99.200 -91.000 HIS 151 0.900 15.871 15.282 25.463 -99.200 -91.000 TYR 175 0.840 3.370 18.116 32.535 -99.200 -91.000 PHE 177 1.000 10.788 24.843 31.107 -99.200 -91.000 TYR 185 0.840 16.019 31.014 29.672 -99.200 -91.000 TYR 188 0.840 20.197 30.243 23.918 -99.200 -91.000 HIS 192 0.900 24.475 30.588 22.904 -99.200 -91.000