============================================================================= 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 5 1.000 9.721 -23.604 -9.659 -99.200 -91.000 TYR 6 0.840 7.862 -25.956 -4.213 -99.200 -91.000 HIS 9 0.900 6.274 -24.096 -14.300 -99.200 -91.000 HIS 24 0.900 5.131 -41.477 1.595 -99.200 -91.000 PHE 30 1.000 14.352 -31.422 -0.849 -99.200 -91.000 PHE 38 1.000 1.376 -17.343 8.104 -99.200 -91.000 HIS 51 0.900 1.457 -30.986 25.377 -99.200 -91.000 PHE 53 1.000 -1.536 -28.834 19.714 -99.200 -91.000 PHE 63 1.000 5.762 -36.485 4.140 -99.200 -91.000 HIS 66 0.900 8.473 -46.242 8.204 -99.200 -91.000 TYR 74 0.840 7.615 -30.145 15.032 -99.200 -91.000 PHE 78 1.000 2.648 -29.782 7.661 -99.200 -91.000 PHE 80 1.000 -1.503 -30.931 14.962 -99.200 -91.000 PHE 100 1.000 -2.650 -48.091 -7.006 -99.200 -91.000 TYR 112 0.840 2.359 -46.510 1.396 -99.200 -91.000 PHE 114 1.000 -2.022 -49.937 10.310 -99.200 -91.000 HIS 117 0.900 11.673 -47.791 8.829 -99.200 -91.000 HIS 124 0.900 16.391 -48.131 20.410 -99.200 -91.000 TYR 160 0.840 -4.352 -50.571 18.399 -99.200 -91.000 TYR 173 0.840 -1.429 -36.007 18.811 -99.200 -91.000 HIS 213 0.900 9.151 -39.402 30.188 -99.200 -91.000 TYR 286 0.840 -18.229 -28.982 18.830 -99.200 -91.000 TYR 321 0.840 0.454 -38.151 3.188 -99.200 -91.000 PHE 326 1.000 -3.149 -34.342 -5.991 -99.200 -91.000 TRP 327 1.040 -2.542 -28.096 -3.991 -99.200 -91.000 TRP6 327 1.020 -2.823 -28.086 -6.345 -99.200 -91.000 PHE 348 1.000 -15.412 -17.067 13.885 -99.200 -91.000 HIS 359 0.900 -21.771 -28.271 16.022 -99.200 -91.000