============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 8 0.840 6.067 32.789 24.553 -99.200 -91.000 TYR 11 0.840 11.990 32.109 12.116 -99.200 -91.000 TYR 15 0.840 19.193 23.137 23.207 -99.200 -91.000 TYR 31 0.840 -4.215 18.093 17.821 -99.200 -91.000 HIS 35 0.900 -7.808 25.739 8.898 -99.200 -91.000 TYR 39 0.840 2.806 27.679 15.393 -99.200 -91.000 PHE 41 1.000 8.734 31.269 16.151 -99.200 -91.000 PHE 46 1.000 17.209 34.500 22.605 -99.200 -91.000 HIS 59 0.900 5.402 38.359 13.414 -99.200 -91.000 TYR 64 0.840 1.219 41.659 3.469 -99.200 -91.000 PHE 69 1.000 4.369 31.672 10.227 -99.200 -91.000 PHE 72 1.000 9.897 32.706 5.620 -99.200 -91.000 PHE 77 1.000 13.016 27.525 13.697 -99.200 -91.000 TRP 87 1.040 21.819 32.467 10.771 -99.200 -91.000 TRP6 87 1.020 19.781 31.615 9.922 -99.200 -91.000 HIS 96 0.900 15.457 30.390 3.411 -99.200 -91.000 HIS 101 0.900 9.103 28.252 -6.169 -99.200 -91.000 TYR 114 0.840 12.238 41.313 4.688 -99.200 -91.000 TRP 122 1.040 10.016 48.167 11.938 -99.200 -91.000 TRP6 122 1.020 11.860 48.284 10.467 -99.200 -91.000 HIS 136 0.900 6.148 38.442 34.110 -99.200 -91.000 PHE 144 1.000 4.146 28.772 28.463 -99.200 -91.000 TYR 154 0.840 13.236 20.654 23.080 -99.200 -91.000 TYR 156 0.840 1.616 15.052 17.671 -99.200 -91.000 TYR 159 0.840 3.931 20.848 21.570 -99.200 -91.000