============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 24 1.040 9.124 32.776 -7.937 -99.200 -91.000 TRP6 24 1.020 9.977 30.768 -7.029 -99.200 -91.000 PHE 31 1.000 -2.218 35.082 -5.384 -99.200 -91.000 TYR 33 0.840 -1.863 25.786 -11.555 -99.200 -91.000 PHE 34 1.000 -2.008 28.749 -3.353 -99.200 -91.000 TRP 57 1.040 -1.090 32.871 9.822 -99.200 -91.000 TRP6 57 1.020 -3.268 32.722 8.929 -99.200 -91.000 PHE 58 1.000 2.370 34.629 12.206 -99.200 -91.000 HIS 87 0.900 -10.932 30.011 8.656 -99.200 -91.000 PHE 88 1.000 -11.164 24.529 12.365 -99.200 -91.000 TRP 113 1.040 -6.213 21.766 -2.785 -99.200 -91.000 TRP6 113 1.020 -4.924 21.331 -4.719 -99.200 -91.000 TYR 121 0.840 5.278 22.093 -0.006 -99.200 -91.000 HIS 127 0.900 -1.483 10.744 5.229 -99.200 -91.000 HIS 130 0.900 -4.367 9.819 -5.785 -99.200 -91.000 PHE 134 1.000 -2.664 19.303 -8.746 -99.200 -91.000 PHE 142 1.000 14.385 33.494 -9.893 -99.200 -91.000 PHE 147 1.000 17.472 25.462 -0.999 -99.200 -91.000 PHE 148 1.000 8.492 19.965 -3.415 -99.200 -91.000 TYR 156 0.840 4.906 11.339 -4.803 -99.200 -91.000 TYR 162 0.840 -5.265 16.022 -12.689 -99.200 -91.000 TYR 177 0.840 4.668 30.266 -14.866 -99.200 -91.000 PHE 179 1.000 0.705 26.452 -14.454 -99.200 -91.000 TYR 182 0.840 6.254 15.239 -10.709 -99.200 -91.000