============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 15 1.000 72.342 37.285 16.249 -99.200 -91.000 PHE 29 1.000 83.080 28.414 16.465 -99.200 -91.000 HIS 35 0.900 63.520 34.558 20.140 -99.200 -91.000 HIS 46 0.900 65.904 37.248 16.718 -99.200 -91.000 TRP 48 1.040 75.454 32.890 14.125 -99.200 -91.000 TRP6 48 1.020 76.927 31.570 12.841 -99.200 -91.000 TYR 72 0.840 61.556 35.786 6.594 -99.200 -91.000 HIS 83 0.900 71.199 27.517 6.700 -99.200 -91.000 PHE 97 1.000 81.398 27.343 10.829 -99.200 -91.000 TYR 108 0.840 84.975 34.188 6.248 -99.200 -91.000 PHE 110 1.000 77.710 37.245 14.766 -99.200 -91.000 PHE 111 1.000 74.439 37.645 7.294 -99.200 -91.000 PHE 114 1.000 61.295 38.230 11.073 -99.200 -91.000 HIS 117 0.900 64.584 40.438 13.259 -99.200 -91.000