============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 108.542 115.897 -14.479 -99.200 -91.000 TRP 14 1.040 122.229 115.522 -2.115 -99.200 -91.000 TRP6 14 1.020 122.755 113.268 -2.545 -99.200 -91.000 PHE 15 1.000 116.291 120.376 -3.421 -99.200 -91.000 TYR 19 0.840 108.075 125.134 0.963 -99.200 -91.000 HIS 22 0.900 103.902 135.139 2.415 -99.200 -91.000 TYR 28 0.840 111.192 126.158 -3.516 -99.200 -91.000 TRP 39 1.040 125.246 123.915 11.955 -99.200 -91.000 TRP6 39 1.020 125.228 126.294 11.900 -99.200 -91.000 HIS 45 0.900 119.992 134.210 -5.356 -99.200 -91.000 PHE 47 1.000 117.958 132.203 2.867 -99.200 -91.000 TYR 50 0.840 109.592 139.661 5.809 -99.200 -91.000 TYR 56 0.840 113.129 133.333 5.034 -99.200 -91.000 TYR 59 0.840 107.405 120.893 5.483 -99.200 -91.000 PHE 75 1.000 114.384 119.829 11.094 -99.200 -91.000 HIS 83 0.900 130.834 134.857 2.942 -99.200 -91.000 TYR 86 0.840 124.474 138.407 -2.166 -99.200 -91.000 HIS 93 0.900 123.039 137.902 -7.537 -99.200 -91.000 HIS 94 0.900 130.666 139.690 -7.519 -99.200 -91.000 TYR 125 0.840 144.305 122.485 -2.395 -99.200 -91.000 PHE 130 1.000 139.682 120.623 -19.215 -99.200 -91.000 PHE 139 1.000 110.365 120.821 -4.986 -99.200 -91.000 TYR 147 0.840 101.993 132.041 -17.331 -99.200 -91.000 TYR 149 0.840 108.909 128.531 -8.892 -99.200 -91.000 HIS 163 0.900 138.013 132.227 -13.752 -99.200 -91.000 HIS 170 0.900 131.925 135.787 -29.367 -99.200 -91.000 TYR 171 0.840 131.163 131.146 -23.980 -99.200 -91.000 TYR 172 0.840 127.650 134.365 -18.503 -99.200 -91.000 TRP 188 1.040 118.113 126.960 -25.562 -99.200 -91.000 TRP6 188 1.020 117.443 128.002 -27.586 -99.200 -91.000 TRP 217 1.040 126.029 134.882 -11.407 -99.200 -91.000 TRP6 217 1.020 126.709 135.252 -13.661 -99.200 -91.000 TYR 230 0.840 125.901 125.910 -11.273 -99.200 -91.000 HIS 235 0.900 138.605 129.405 -4.200 -99.200 -91.000 PHE 236 1.000 132.510 131.300 -0.886 -99.200 -91.000 TRP 239 1.040 131.480 132.539 6.122 -99.200 -91.000 TRP6 239 1.020 129.457 131.563 5.385 -99.200 -91.000 HIS 243 0.900 130.379 132.287 10.244 -99.200 -91.000