============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 57.476-212.450 27.896 -99.200 -91.000 PHE 14 1.000 53.327-218.558 22.760 -99.200 -91.000 TYR 18 0.840 52.727-217.912 16.780 -99.200 -91.000 HIS 65 0.900 69.022-187.766 6.293 -99.200 -91.000 HIS 83 0.900 56.733-193.002 14.021 -99.200 -91.000 HIS 91 0.900 66.435-184.338 14.665 -99.200 -91.000 TYR 94 0.840 59.718-180.200 16.873 -99.200 -91.000 TYR 95 0.840 66.226-180.934 17.992 -99.200 -91.000 PHE 115 1.000 52.920-206.631 19.960 -99.200 -91.000 PHE 130 1.000 53.996-201.749 12.535 -99.200 -91.000 HIS 139 0.900 76.975-189.641 5.046 -99.200 -91.000 TYR 145 0.840 78.054-193.385 2.522 -99.200 -91.000 PHE 148 1.000 71.156-198.453 12.127 -99.200 -91.000 HIS 149 0.900 66.622-207.465 10.370 -99.200 -91.000 PHE 156 1.000 67.867-199.749 16.642 -99.200 -91.000 TYR 157 0.840 71.505-207.400 16.546 -99.200 -91.000 TYR 159 0.840 72.545-207.556 10.400 -99.200 -91.000 TRP 179 1.040 80.719-205.941 3.531 -99.200 -91.000 TRP6 179 1.020 82.213-205.529 5.311 -99.200 -91.000 HIS 180 0.900 86.401-206.233 -0.182 -99.200 -91.000 PHE 218 1.000 66.214-194.288 -1.450 -99.200 -91.000 TYR 221 0.840 71.255-197.655 -8.674 -99.200 -91.000