============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 8 0.900 11.113 87.702 13.460 -99.200 -91.000 TYR 12 0.840 -5.764 78.240 13.212 -99.200 -91.000 HIS 20 0.900 -8.863 66.160 22.939 -99.200 -91.000 HIS 21 0.900 -11.415 70.929 16.951 -99.200 -91.000 PHE 22 1.000 -4.603 69.179 17.461 -99.200 -91.000 TYR 33 0.840 19.216 82.496 1.926 -99.200 -91.000 PHE 51 1.000 -2.828 64.681 20.370 -99.200 -91.000 PHE 53 1.000 3.373 70.092 20.473 -99.200 -91.000 PHE 60 1.000 3.196 72.808 15.778 -99.200 -91.000 PHE 64 1.000 12.866 79.672 8.335 -99.200 -91.000 HIS 67 0.900 17.435 73.504 -0.332 -99.200 -91.000 PHE 74 1.000 9.134 72.769 -5.535 -99.200 -91.000 PHE 75 1.000 10.956 72.762 -0.177 -99.200 -91.000 PHE 79 1.000 8.372 81.631 0.173 -99.200 -91.000 PHE 83 1.000 7.038 76.021 0.786 -99.200 -91.000 TRP 85 1.040 4.152 71.189 4.605 -99.200 -91.000 TRP6 85 1.020 3.068 69.760 6.150 -99.200 -91.000 TYR 91 0.840 3.486 57.892 14.350 -99.200 -91.000 TYR 112 0.840 5.580 78.219 8.025 -99.200 -91.000 PHE 121 1.000 -1.543 58.484 16.195 -99.200 -91.000 TRP 135 1.040 9.612 63.340 16.319 -99.200 -91.000 TRP6 135 1.020 8.720 61.314 15.459 -99.200 -91.000 TYR 143 0.840 10.499 60.891 -5.233 -99.200 -91.000 HIS 164 0.900 15.094 54.544 19.129 -99.200 -91.000 TYR 173 0.840 7.852 68.546 0.645 -99.200 -91.000 TYR 188 0.840 16.932 68.369 -2.523 -99.200 -91.000 TYR 189 0.840 19.504 61.320 -1.242 -99.200 -91.000 TYR 205 0.840 6.193 78.035 25.365 -99.200 -91.000 HIS 209 0.900 17.441 75.147 16.612 -99.200 -91.000 TYR 216 0.840 22.670 67.545 -5.996 -99.200 -91.000