============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 31 1.000 26.784 59.127 6.136 -99.200 -91.000 TYR 41 0.840 18.802 58.597 2.841 -99.200 -91.000 PHE 42 1.000 12.136 55.228 6.059 -99.200 -91.000 TYR 59 0.840 18.242 61.851 -1.746 -99.200 -91.000 TYR 60 0.840 23.991 60.181 0.149 -99.200 -91.000 HIS 69 0.900 31.289 72.120 15.498 -99.200 -91.000 PHE 70 1.000 29.786 66.388 12.351 -99.200 -91.000 PHE 87 1.000 23.900 60.049 14.644 -99.200 -91.000 TYR 92 0.840 26.041 74.384 15.677 -99.200 -91.000 TRP 100 1.040 20.112 66.981 10.645 -99.200 -91.000 TRP6 100 1.020 18.769 66.489 8.765 -99.200 -91.000 TYR 106 0.840 27.417 51.924 10.480 -99.200 -91.000 TRP 114 1.040 31.590 46.390 11.779 -99.200 -91.000 TRP6 114 1.020 29.802 45.498 13.028 -99.200 -91.000 HIS 120 0.900 13.314 57.168 9.882 -99.200 -91.000 TRP 121 1.040 20.497 61.051 7.949 -99.200 -91.000 TRP6 121 1.020 21.786 61.983 9.696 -99.200 -91.000 TYR 123 0.840 14.198 68.622 8.576 -99.200 -91.000