============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 8 1.000 29.807 26.015 64.791 -99.200 -91.000 TRP 15 1.040 28.268 21.985 62.873 -99.200 -91.000 TRP6 15 1.020 26.737 23.457 61.818 -99.200 -91.000 HIS 16 0.900 24.436 20.938 70.578 -99.200 -91.000 HIS 23 0.900 17.716 13.894 54.729 -99.200 -91.000 TYR 41 0.840 18.003 22.762 53.021 -99.200 -91.000 TYR 44 0.840 18.568 27.549 63.050 -99.200 -91.000 TYR 54 0.840 33.333 44.436 77.807 -99.200 -91.000 PHE 61 1.000 27.244 42.884 65.194 -99.200 -91.000 TYR 66 0.840 30.634 35.546 51.502 -99.200 -91.000 PHE 79 1.000 29.720 47.235 66.997 -99.200 -91.000 TYR 88 0.840 17.809 32.973 52.083 -99.200 -91.000 HIS 91 0.900 19.373 24.829 43.567 -99.200 -91.000 TYR 97 0.840 31.524 30.805 53.168 -99.200 -91.000 PHE 100 1.000 30.580 35.838 62.620 -99.200 -91.000 HIS 105 0.900 33.096 44.115 65.261 -99.200 -91.000 TYR 112 0.840 20.898 30.430 68.220 -99.200 -91.000 TRP 113 1.040 26.462 29.318 62.024 -99.200 -91.000 TRP6 113 1.020 28.083 30.549 63.246 -99.200 -91.000 PHE 123 1.000 -2.909 20.289 53.779 -99.200 -91.000