============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 1 0.900 0.388 12.060 164.020 -99.200 -91.000 HIS 6 0.900 6.647 6.629 173.422 -99.200 -91.000 PHE 7 1.000 8.227 8.172 181.257 -99.200 -91.000 TRP 19 1.040 15.565 15.927 163.699 -99.200 -91.000 TRP6 19 1.020 16.130 14.415 165.433 -99.200 -91.000 PHE 21 1.000 17.831 26.046 162.160 -99.200 -91.000 HIS 31 0.900 14.073 18.079 174.734 -99.200 -91.000 HIS 34 0.900 9.913 26.551 171.176 -99.200 -91.000 HIS 39 0.900 8.235 16.790 177.157 -99.200 -91.000 TYR 47 0.840 7.298 12.601 179.617 -99.200 -91.000 TYR 55 0.840 21.152 25.421 182.905 -99.200 -91.000 TYR 64 0.840 29.040 5.705 183.469 -99.200 -91.000 PHE 65 1.000 24.067 12.934 180.111 -99.200 -91.000 TYR 67 0.840 20.732 17.891 181.394 -99.200 -91.000 HIS 102 0.900 14.046 0.680 190.774 -99.200 -91.000 TRP 115 1.040 22.391 1.295 186.418 -99.200 -91.000 TRP6 115 1.020 22.435 1.635 184.078 -99.200 -91.000 HIS 132 0.900 33.306 24.863 177.590 -99.200 -91.000 TYR 135 0.840 32.390 11.742 174.742 -99.200 -91.000 TYR 143 0.840 17.270 9.108 170.191 -99.200 -91.000 TYR 147 0.840 22.959 8.575 177.534 -99.200 -91.000 TYR 152 0.840 17.379 12.581 192.757 -99.200 -91.000 TRP 153 1.040 25.457 15.441 193.607 -99.200 -91.000 TRP6 153 1.020 25.742 14.109 191.666 -99.200 -91.000 PHE 161 1.000 24.006 32.363 193.432 -99.200 -91.000 TRP 164 1.040 18.168 20.187 193.210 -99.200 -91.000 TRP6 164 1.020 18.314 18.289 194.620 -99.200 -91.000 TYR 166 0.840 18.678 15.945 188.080 -99.200 -91.000 TRP 178 1.040 30.656 8.591 171.515 -99.200 -91.000 TRP6 178 1.020 28.601 8.749 172.670 -99.200 -91.000 TYR 195 0.840 20.661 21.032 156.604 -99.200 -91.000 TYR 199 0.840 18.696 26.470 156.896 -99.200 -91.000