============================================================================= 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 10.404 -85.720 39.852 -99.200 -91.000 PHE 14 1.000 14.460 -78.819 35.788 -99.200 -91.000 TYR 18 0.840 15.026 -78.327 29.811 -99.200 -91.000 HIS 65 0.900 -1.197-106.157 13.568 -99.200 -91.000 HIS 83 0.900 11.033-102.526 22.567 -99.200 -91.000 HIS 91 0.900 1.397-111.101 21.749 -99.200 -91.000 TYR 94 0.840 8.400-115.489 22.863 -99.200 -91.000 TYR 95 0.840 1.786-114.898 24.552 -99.200 -91.000 PHE 115 1.000 15.004 -90.179 30.856 -99.200 -91.000 PHE 130 1.000 13.957 -93.469 22.904 -99.200 -91.000 HIS 139 0.900 -8.967-104.301 12.743 -99.200 -91.000 TYR 145 0.840 -10.107-100.021 10.878 -99.200 -91.000 PHE 148 1.000 -3.470 -96.839 21.154 -99.200 -91.000 HIS 149 0.900 0.992 -87.465 21.192 -99.200 -91.000 PHE 156 1.000 -0.441 -96.102 25.990 -99.200 -91.000 TYR 157 0.840 -3.585 -88.710 27.451 -99.200 -91.000 TYR 159 0.840 -4.735 -87.464 21.289 -99.200 -91.000 TRP 179 1.040 -12.665 -87.824 13.923 -99.200 -91.000 TRP6 179 1.020 -14.207 -88.707 15.480 -99.200 -91.000 HIS 180 0.900 -17.971 -86.142 10.352 -99.200 -91.000 PHE 218 1.000 2.027 -98.555 7.358 -99.200 -91.000 TYR 221 0.840 -3.153 -93.688 0.691 -99.200 -91.000