============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 3 1.040 11.680 -1.195 -20.238 -99.200 -91.000 TRP6 3 1.020 12.572 0.969 -20.022 -99.200 -91.000 TYR 15 0.840 16.544 -4.859 -11.471 -99.200 -91.000 TYR 16 0.840 19.090 -0.810 -4.608 -99.200 -91.000 PHE 18 1.000 15.372 2.562 -15.113 -99.200 -91.000 TYR 19 0.840 14.482 4.861 -6.719 -99.200 -91.000 PHE 23 1.000 11.594 6.499 -11.499 -99.200 -91.000 TYR 26 0.840 21.185 12.605 -4.803 -99.200 -91.000 TYR 32 0.840 15.086 -4.488 -7.045 -99.200 -91.000 HIS 34 0.900 12.925 -6.485 -15.017 -99.200 -91.000 PHE 35 1.000 4.793 -6.374 -12.915 -99.200 -91.000 PHE 43 1.000 2.135 -5.365 -17.975 -99.200 -91.000 TYR 48 0.840 13.106 0.786 -9.124 -99.200 -91.000 TRP 55 1.040 10.369 18.738 -1.423 -99.200 -91.000 TRP6 55 1.020 9.481 20.114 -3.133 -99.200 -91.000 PHE 62 1.000 -3.555 10.843 -2.251 -99.200 -91.000 TYR 68 0.840 9.932 4.395 -21.391 -99.200 -91.000 PHE 73 1.000 8.680 9.898 -21.030 -99.200 -91.000 PHE 78 1.000 0.405 3.756 -16.750 -99.200 -91.000 TRP 85 1.040 -4.166 1.831 -2.972 -99.200 -91.000 TRP6 85 1.020 -2.426 0.443 -2.100 -99.200 -91.000 PHE 88 1.000 3.361 3.791 -1.674 -99.200 -91.000 TRP 127 1.040 5.846 -4.034 8.159 -99.200 -91.000 TRP6 127 1.020 4.872 -3.686 6.022 -99.200 -91.000 PHE 130 1.000 5.402 0.235 2.766 -99.200 -91.000 PHE 134 1.000 6.883 5.497 1.087 -99.200 -91.000 TYR 137 0.840 0.890 8.252 -0.013 -99.200 -91.000 PHE 158 1.000 -5.256 1.607 12.570 -99.200 -91.000 TYR 159 0.840 1.651 4.451 18.223 -99.200 -91.000 TYR 173 0.840 -8.120 -5.552 18.709 -99.200 -91.000 TYR 185 0.840 -15.121 -3.570 21.569 -99.200 -91.000 TYR 186 0.840 -12.673 3.342 15.437 -99.200 -91.000 TYR 209 0.840 -13.768 -7.487 25.664 -99.200 -91.000 PHE 213 1.000 -4.812 4.174 22.253 -99.200 -91.000 PHE 221 1.000 -11.016 8.084 3.732 -99.200 -91.000 TYR 231 0.840 -8.774 -7.216 9.046 -99.200 -91.000 TYR 234 0.840 -12.783 -11.369 14.179 -99.200 -91.000