============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 4 1.040 22.255 -17.500 51.015 -99.200 -91.000 TRP6 4 1.020 20.235 -16.328 50.668 -99.200 -91.000 PHE 7 1.000 19.507 -12.556 54.365 -99.200 -91.000 TRP 14 1.040 17.615 -11.220 65.020 -99.200 -91.000 TRP6 14 1.020 19.563 -11.033 66.341 -99.200 -91.000 PHE 18 1.000 11.045 -2.089 63.907 -99.200 -91.000 PHE 21 1.000 15.097 7.781 69.129 -99.200 -91.000 PHE 62 1.000 14.607 -10.734 52.373 -99.200 -91.000 PHE 71 1.000 23.654 -8.974 54.384 -99.200 -91.000 PHE 72 1.000 30.986 -4.069 56.639 -99.200 -91.000 PHE 77 1.000 21.306 -5.473 57.712 -99.200 -91.000 PHE 87 1.000 15.123 11.226 37.707 -99.200 -91.000 PHE 90 1.000 20.937 9.275 50.818 -99.200 -91.000 PHE 96 1.000 26.796 -0.214 63.943 -99.200 -91.000 HIS 98 0.900 29.467 -7.122 70.453 -99.200 -91.000 PHE 109 1.000 18.426 11.862 55.139 -99.200 -91.000 HIS 114 0.900 16.062 20.322 54.744 -99.200 -91.000 HIS 124 0.900 15.924 -8.962 73.641 -99.200 -91.000 TRP 145 1.040 37.208 7.080 70.745 -99.200 -91.000 TRP6 145 1.020 35.973 5.371 71.808 -99.200 -91.000 TYR 153 0.840 37.063 0.431 48.304 -99.200 -91.000 TYR 161 0.840 40.955 1.849 56.025 -99.200 -91.000 PHE 180 1.000 38.065 6.226 58.236 -99.200 -91.000 PHE 198 1.000 31.074 17.257 63.724 -99.200 -91.000 PHE 230 1.000 29.964 11.305 56.289 -99.200 -91.000 TRP 235 1.040 25.509 -0.485 69.852 -99.200 -91.000 TRP6 235 1.020 25.230 -2.773 69.331 -99.200 -91.000 TYR 248 0.840 25.231 7.010 48.534 -99.200 -91.000 TRP 254 1.040 26.920 2.275 48.499 -99.200 -91.000 TRP6 254 1.020 26.026 0.084 48.458 -99.200 -91.000