============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 21 1.000 22.858 -13.404 0.408 -99.200 -91.000 HIS 34 0.900 16.721 -15.624 15.336 -99.200 -91.000 TRP 35 1.040 19.723 -12.930 8.215 -99.200 -91.000 TRP6 35 1.020 18.876 -12.818 5.996 -99.200 -91.000 TYR 36 0.840 18.679 -20.607 10.693 -99.200 -91.000 TYR 50 0.840 17.192 -12.878 19.394 -99.200 -91.000 PHE 62 1.000 28.682 -15.431 5.714 -99.200 -91.000 PHE 71 1.000 14.361 -7.668 10.345 -99.200 -91.000 TYR 86 0.840 24.025 -17.371 2.036 -99.200 -91.000 TYR 87 0.840 16.533 -21.479 2.837 -99.200 -91.000 TRP 94 1.040 3.724 -21.296 17.965 -99.200 -91.000 TRP6 94 1.020 1.981 -22.325 16.703 -99.200 -91.000 PHE 96 1.000 10.065 -19.962 16.925 -99.200 -91.000 PHE 98 1.000 12.949 -22.124 8.825 -99.200 -91.000 PHE 118 1.000 37.473 -41.577 -16.350 -99.200 -91.000 PHE 135 1.000 33.471 -38.459 -14.172 -99.200 -91.000 PHE 139 1.000 31.186 -27.136 -17.445 -99.200 -91.000 TYR 140 0.840 31.314 -18.640 -14.750 -99.200 -91.000 TRP 148 1.040 28.171 -39.597 -25.056 -99.200 -91.000 TRP6 148 1.020 30.047 -40.783 -24.262 -99.200 -91.000 TRP 163 1.040 24.171 -30.600 -17.153 -99.200 -91.000 TRP6 163 1.020 22.225 -31.860 -17.644 -99.200 -91.000 TYR 173 0.840 28.038 -23.318 -12.800 -99.200 -91.000 TYR 186 0.840 32.394 -51.690 -24.598 -99.200 -91.000 HIS 189 0.900 28.781 -50.135 -32.329 -99.200 -91.000 TYR 192 0.840 32.014 -47.583 -27.663 -99.200 -91.000 HIS 198 0.900 32.507 -23.636 -21.601 -99.200 -91.000 PHE 209 1.000 36.490 -46.593 -24.594 -99.200 -91.000