============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 4 0.840 27.131 32.353 15.279 -99.200 -91.000 PHE 6 1.000 30.561 29.100 13.030 -99.200 -91.000 HIS 15 0.900 24.793 28.053 -2.494 -99.200 -91.000 PHE 19 1.000 28.719 39.347 2.249 -99.200 -91.000 PHE 38 1.000 24.414 36.603 5.659 -99.200 -91.000 HIS 48 0.900 33.207 37.786 3.931 -99.200 -91.000 TRP 52 1.040 32.855 36.777 11.523 -99.200 -91.000 TRP6 52 1.020 31.953 35.165 12.983 -99.200 -91.000 TYR 54 0.840 25.047 42.520 5.482 -99.200 -91.000 PHE 93 1.000 26.007 44.498 24.221 -99.200 -91.000 TRP 109 1.040 27.616 54.771 15.661 -99.200 -91.000 TRP6 109 1.020 27.015 57.039 15.445 -99.200 -91.000 TYR 112 0.840 36.349 53.100 17.015 -99.200 -91.000 TYR 116 0.840 28.117 62.789 15.217 -99.200 -91.000 HIS 118 0.900 34.076 67.768 18.470 -99.200 -91.000 PHE 126 1.000 20.661 57.380 31.231 -99.200 -91.000 PHE 133 1.000 24.815 58.549 20.852 -99.200 -91.000 PHE 156 1.000 16.315 61.644 25.326 -99.200 -91.000 TYR 162 0.840 8.818 54.689 27.923 -99.200 -91.000 PHE 169 1.000 13.509 54.826 18.815 -99.200 -91.000 TYR 180 0.840 12.992 45.451 8.302 -99.200 -91.000 TRP 183 1.040 8.704 52.681 9.565 -99.200 -91.000 TRP6 183 1.020 7.267 54.490 10.001 -99.200 -91.000 TYR 203 0.840 3.886 47.955 17.157 -99.200 -91.000 TYR 213 0.840 11.034 43.274 12.567 -99.200 -91.000 TYR 218 0.840 3.662 38.825 21.009 -99.200 -91.000 HIS 230 0.900 -10.683 42.843 24.024 -99.200 -91.000 HIS 236 0.900 -3.385 42.345 13.513 -99.200 -91.000 PHE 237 1.000 -1.835 38.642 20.077 -99.200 -91.000 TRP 262 1.040 1.353 28.738 20.355 -99.200 -91.000 TRP6 262 1.020 -0.758 28.123 19.447 -99.200 -91.000 TYR 278 0.840 -11.964 30.603 25.935 -99.200 -91.000 PHE 293 1.000 -10.873 33.259 16.317 -99.200 -91.000