============================================================================= 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 3 1.000 -19.716 37.742 31.989 -99.200 -91.000 TYR 8 0.840 -32.589 39.603 36.189 -99.200 -91.000 HIS 12 0.900 -45.433 51.234 31.256 -99.200 -91.000 TRP 17 1.040 -55.384 54.924 30.762 -99.200 -91.000 TRP6 17 1.020 -54.647 54.001 28.707 -99.200 -91.000 PHE 25 1.000 -40.173 61.831 29.032 -99.200 -91.000 PHE 34 1.000 -47.089 55.383 42.145 -99.200 -91.000 TYR 49 0.840 -35.389 35.482 39.346 -99.200 -91.000 TRP 69 1.040 -38.077 46.274 39.880 -99.200 -91.000 TRP6 69 1.020 -36.981 44.220 39.431 -99.200 -91.000 PHE 73 1.000 -33.251 43.406 44.112 -99.200 -91.000 TYR 78 0.840 -32.811 56.541 35.390 -99.200 -91.000 TYR 82 0.840 -41.734 58.339 25.607 -99.200 -91.000 TYR 89 0.840 -36.358 48.583 24.828 -99.200 -91.000 HIS 106 0.900 -41.777 53.381 27.693 -99.200 -91.000 HIS 122 0.900 -48.260 34.320 20.125 -99.200 -91.000 PHE 129 1.000 -42.736 41.611 28.917 -99.200 -91.000 TRP 144 1.040 -30.289 35.667 24.515 -99.200 -91.000 TRP6 144 1.020 -29.083 36.066 26.507 -99.200 -91.000 PHE 149 1.000 -43.271 37.406 31.790 -99.200 -91.000