============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 2 0.840 -12.900 -30.066 9.539 -99.200 -91.000 PHE 4 1.000 -8.732 -20.450 12.527 -99.200 -91.000 PHE 12 1.000 2.239 -1.681 3.731 -99.200 -91.000 TRP 17 1.040 -4.371 4.022 -0.971 -99.200 -91.000 TRP6 17 1.020 -4.147 1.703 -1.367 -99.200 -91.000 TRP 25 1.040 -10.532 -18.812 3.561 -99.200 -91.000 TRP6 25 1.020 -12.483 -19.135 2.222 -99.200 -91.000 HIS 32 0.900 -13.566 -15.612 12.388 -99.200 -91.000 TRP 34 1.040 -10.522 -6.328 11.065 -99.200 -91.000 TRP6 34 1.020 -8.502 -6.352 12.340 -99.200 -91.000 PHE 43 1.000 -18.164 -12.883 15.407 -99.200 -91.000 TRP 47 1.040 -20.607 -22.077 12.593 -99.200 -91.000 TRP6 47 1.020 -18.415 -22.422 11.781 -99.200 -91.000 TRP 57 1.040 -14.696 -11.746 19.026 -99.200 -91.000 TRP6 57 1.020 -13.341 -13.130 17.679 -99.200 -91.000 HIS 62 0.900 -7.452 -2.970 22.647 -99.200 -91.000 PHE 64 1.000 -5.581 -11.450 15.913 -99.200 -91.000 TYR 67 0.840 -0.571 -8.012 13.175 -99.200 -91.000 PHE 71 1.000 2.025 -5.940 8.361 -99.200 -91.000 TYR 88 0.840 5.928 2.971 -0.452 -99.200 -91.000 TYR 101 0.840 -1.977 -32.884 11.342 -99.200 -91.000 PHE 109 1.000 -0.852 -22.618 8.831 -99.200 -91.000 HIS 111 0.900 4.761 -21.022 6.320 -99.200 -91.000 PHE 114 1.000 9.159 -7.390 -0.499 -99.200 -91.000 TYR 118 0.840 7.761 -19.628 3.179 -99.200 -91.000 PHE 122 1.000 7.515 -17.224 16.231 -99.200 -91.000 TRP 123 1.040 10.326 -24.620 12.740 -99.200 -91.000 TRP6 123 1.020 8.217 -25.629 12.419 -99.200 -91.000 TRP 127 1.040 9.135 -13.001 14.242 -99.200 -91.000 TRP6 127 1.020 7.126 -13.173 12.982 -99.200 -91.000 TRP 136 1.040 15.768 -6.509 0.900 -99.200 -91.000 TRP6 136 1.020 13.725 -6.296 2.001 -99.200 -91.000 PHE 165 1.000 -11.455 -18.977 17.406 -99.200 -91.000 TRP 186 1.040 -25.014 -28.935 -17.124 -99.200 -91.000 TRP6 186 1.020 -24.664 -28.103 -14.950 -99.200 -91.000 HIS 195 0.900 -20.799 -29.007 -18.105 -99.200 -91.000 PHE 199 1.000 -18.844 -31.624 -6.018 -99.200 -91.000 TYR 200 0.840 -19.179 -28.443 2.182 -99.200 -91.000 TRP 205 1.040 -15.150 -42.484 -8.881 -99.200 -91.000 TRP6 205 1.020 -16.830 -43.517 -10.208 -99.200 -91.000 TRP 208 1.040 -17.774 -38.615 -19.427 -99.200 -91.000 TRP6 208 1.020 -19.932 -38.436 -20.400 -99.200 -91.000 HIS 219 0.900 -8.174 -33.547 -17.700 -99.200 -91.000 PHE 223 1.000 -12.831 -31.417 -6.803 -99.200 -91.000 TRP 231 1.040 -16.212 -27.623 -2.979 -99.200 -91.000 TRP6 231 1.020 -14.454 -26.174 -3.627 -99.200 -91.000 TYR 232 0.840 -19.237 -26.373 -12.842 -99.200 -91.000 HIS 253 0.900 -21.090 -35.356 -2.464 -99.200 -91.000 TYR 264 0.840 -28.227 -44.689 -18.469 -99.200 -91.000 TRP 265 1.040 -24.547 -38.271 -26.009 -99.200 -91.000 TRP6 265 1.020 -23.861 -36.046 -25.551 -99.200 -91.000