============================================================================= 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. PHE 2 1.000 8.566 -25.500 147.391 -99.200 -91.000 TYR 10 0.840 28.927 -10.680 159.505 -99.200 -91.000 HIS 31 0.900 13.311 -15.949 164.427 -99.200 -91.000 HIS 50 0.900 31.042 -14.393 158.906 -99.200 -91.000 HIS 71 0.900 28.285 -15.602 143.821 -99.200 -91.000 PHE 87 1.000 19.540 -28.156 143.259 -99.200 -91.000 HIS 130 0.900 -4.501 -1.813 152.123 -99.200 -91.000 PHE 136 1.000 4.712 9.519 149.605 -99.200 -91.000 TYR 150 0.840 3.058 -11.744 132.250 -99.200 -91.000 TYR 153 0.840 11.468 0.841 137.077 -99.200 -91.000 PHE 154 1.000 9.626 -6.039 140.285 -99.200 -91.000 TRP 161 1.040 3.699 11.765 141.865 -99.200 -91.000 TRP6 161 1.020 5.023 11.836 143.823 -99.200 -91.000 PHE 166 1.000 1.200 10.606 146.275 -99.200 -91.000 PHE 177 1.000 1.312 4.385 146.223 -99.200 -91.000 HIS 180 0.900 9.569 -7.914 144.610 -99.200 -91.000 TYR 184 0.840 13.262 -11.946 143.429 -99.200 -91.000 TYR 186 0.840 15.152 -17.093 140.723 -99.200 -91.000 PHE 190 1.000 14.786 -16.203 134.519 -99.200 -91.000 TYR 194 0.840 19.852 -12.294 137.455 -99.200 -91.000 TRP 197 1.040 20.387 -12.007 129.948 -99.200 -91.000 TRP6 197 1.020 18.433 -12.339 131.238 -99.200 -91.000 HIS 204 0.900 25.500 -2.930 138.505 -99.200 -91.000 TRP 215 1.040 19.566 -3.771 130.445 -99.200 -91.000 TRP6 215 1.020 19.415 -1.471 129.936 -99.200 -91.000 TYR 216 0.840 20.496 -7.926 129.653 -99.200 -91.000 HIS 221 0.900 1.670 -13.554 137.232 -99.200 -91.000