============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 13 1.000 5.999 13.127 29.406 -99.200 -91.000 PHE 15 1.000 -3.580 18.557 29.346 -99.200 -91.000 HIS 19 0.900 -13.854 18.755 29.818 -99.200 -91.000 PHE 20 1.000 -19.070 24.481 29.947 -99.200 -91.000 PHE 23 1.000 -22.499 16.772 22.150 -99.200 -91.000 PHE 26 1.000 -24.399 16.104 26.817 -99.200 -91.000 HIS 31 0.900 -16.520 17.165 33.383 -99.200 -91.000 HIS 33 0.900 -12.015 14.623 32.817 -99.200 -91.000 TYR 35 0.840 -8.098 16.744 30.007 -99.200 -91.000 TYR 50 0.840 20.615 8.780 22.724 -99.200 -91.000 PHE 54 1.000 13.737 7.306 25.007 -99.200 -91.000 HIS 70 0.900 -2.966 23.413 39.390 -99.200 -91.000 HIS 71 0.900 -3.944 27.974 33.101 -99.200 -91.000 PHE 72 1.000 -13.732 26.257 31.450 -99.200 -91.000 TYR 77 0.840 -11.134 29.068 16.114 -99.200 -91.000 PHE 90 1.000 -11.736 34.809 28.328 -99.200 -91.000 TYR 100 0.840 -20.974 26.933 33.301 -99.200 -91.000 PHE 102 1.000 -15.159 29.177 34.314 -99.200 -91.000 HIS 114 0.900 -17.120 20.300 19.346 -99.200 -91.000 TYR 123 0.840 -3.445 23.742 21.551 -99.200 -91.000 PHE 136 1.000 16.551 18.536 17.148 -99.200 -91.000 TYR 144 0.840 3.079 7.737 13.095 -99.200 -91.000 HIS 160 0.900 -1.888 9.029 12.098 -99.200 -91.000