============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 8 1.040 14.020 87.892 -3.354 -99.200 -91.000 TRP6 8 1.020 12.433 86.461 -2.356 -99.200 -91.000 TYR 20 0.840 18.162 84.590 12.289 -99.200 -91.000 HIS 22 0.900 26.721 92.500 14.735 -99.200 -91.000 HIS 25 0.900 29.463 86.737 17.695 -99.200 -91.000 PHE 35 1.000 9.389 77.461 18.751 -99.200 -91.000 TYR 43 0.840 7.412 83.852 6.471 -99.200 -91.000 TYR 44 0.840 4.866 79.446 15.986 -99.200 -91.000 PHE 50 1.000 4.335 78.840 21.518 -99.200 -91.000 TYR 64 0.840 18.162 77.787 6.826 -99.200 -91.000 HIS 76 0.900 19.798 78.962 11.658 -99.200 -91.000 TYR 78 0.840 21.461 84.118 21.198 -99.200 -91.000 PHE 86 1.000 9.648 73.378 21.268 -99.200 -91.000 TYR 118 0.840 24.139 75.220 22.333 -99.200 -91.000 TYR 137 0.840 -5.413 76.168 -0.494 -99.200 -91.000 TYR 142 0.840 7.172 72.144 -7.594 -99.200 -91.000 TRP 152 1.040 10.332 62.701 3.350 -99.200 -91.000 TRP6 152 1.020 12.069 64.279 3.088 -99.200 -91.000 TYR 156 0.840 11.791 64.892 9.860 -99.200 -91.000 TYR 163 0.840 20.967 60.708 17.888 -99.200 -91.000 PHE 167 1.000 7.569 62.745 15.134 -99.200 -91.000 PHE 171 1.000 0.152 65.048 8.601 -99.200 -91.000 TYR 185 0.840 -6.397 74.843 12.095 -99.200 -91.000 HIS 191 0.900 4.521 79.823 3.377 -99.200 -91.000 TYR 197 0.840 2.445 80.641 12.186 -99.200 -91.000 TYR 207 0.840 4.973 67.764 22.739 -99.200 -91.000 TYR 209 0.840 5.180 77.649 28.082 -99.200 -91.000