============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 8 1.000 23.728 54.000 3.066 -99.200 -91.000 TYR 9 0.840 21.787 56.679 -5.248 -99.200 -91.000 TYR 15 0.840 15.506 69.080 -0.427 -99.200 -91.000 TRP 17 1.040 20.111 65.138 -9.609 -99.200 -91.000 TRP6 17 1.020 18.613 66.376 -10.963 -99.200 -91.000 PHE 20 1.000 24.812 61.219 -8.339 -99.200 -91.000 TYR 26 0.840 33.732 69.950 -3.273 -99.200 -91.000 TRP 30 1.040 36.884 67.791 -0.574 -99.200 -91.000 TRP6 30 1.020 34.659 67.700 0.224 -99.200 -91.000 TYR 62 0.840 11.945 76.014 3.039 -99.200 -91.000 HIS 72 0.900 17.912 79.884 -11.031 -99.200 -91.000 HIS 73 0.900 24.215 78.119 -3.398 -99.200 -91.000 HIS 79 0.900 13.682 72.753 -15.108 -99.200 -91.000 PHE 80 1.000 9.498 69.075 -5.855 -99.200 -91.000 PHE 84 1.000 5.525 68.126 -3.745 -99.200 -91.000 PHE 99 1.000 18.336 49.808 -15.204 -99.200 -91.000 HIS 107 0.900 27.723 45.822 -17.116 -99.200 -91.000 TRP 119 1.040 17.988 61.693 -8.524 -99.200 -91.000 TRP6 119 1.020 20.082 60.901 -7.754 -99.200 -91.000 TRP 123 1.040 13.061 64.191 -8.515 -99.200 -91.000 TRP6 123 1.020 10.741 64.360 -8.080 -99.200 -91.000 TYR 175 0.840 26.272 53.228 8.333 -99.200 -91.000 PHE 178 1.000 16.339 61.882 10.210 -99.200 -91.000 HIS 186 0.900 32.575 54.214 7.014 -99.200 -91.000 HIS 192 0.900 32.268 61.715 12.715 -99.200 -91.000 PHE 195 1.000 17.849 64.479 6.545 -99.200 -91.000 HIS 205 0.900 35.248 71.086 11.305 -99.200 -91.000 TRP 211 1.040 31.788 74.660 1.267 -99.200 -91.000 TRP6 211 1.020 30.747 72.870 0.125 -99.200 -91.000