============================================================================= 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. PHE 2 1.000 -19.942 13.320 48.350 -99.200 -91.000 TYR 29 0.840 -7.116 6.207 62.216 -99.200 -91.000 HIS 30 0.900 -9.327 7.448 57.965 -99.200 -91.000 HIS 52 0.900 -4.132 6.062 32.720 -99.200 -91.000 HIS 55 0.900 -6.327 6.948 39.821 -99.200 -91.000 PHE 91 1.000 -11.886 4.690 39.173 -99.200 -91.000 TYR 105 0.840 -2.189 17.267 36.329 -99.200 -91.000 TYR 106 0.840 3.805 20.786 31.703 -99.200 -91.000 TYR 115 0.840 -19.236 25.742 30.859 -99.200 -91.000 HIS 117 0.900 -10.677 18.695 32.154 -99.200 -91.000 PHE 118 1.000 -13.054 20.664 36.295 -99.200 -91.000 HIS 124 0.900 -18.522 11.954 27.826 -99.200 -91.000 TYR 132 0.840 -7.678 18.959 44.577 -99.200 -91.000 PHE 179 1.000 -20.846 23.882 44.043 -99.200 -91.000 PHE 192 1.000 -13.601 26.234 52.647 -99.200 -91.000 TYR 195 0.840 -14.043 34.018 56.963 -99.200 -91.000 HIS 198 0.900 -21.585 23.695 52.683 -99.200 -91.000 HIS 223 0.900 -22.062 23.786 70.036 -99.200 -91.000 PHE 224 1.000 -17.503 27.700 63.646 -99.200 -91.000 HIS 238 0.900 -4.745 21.100 61.087 -99.200 -91.000 PHE 242 1.000 -0.259 19.729 54.346 -99.200 -91.000 TRP 252 1.040 8.742 9.069 59.958 -99.200 -91.000 TRP6 252 1.020 8.234 10.101 62.024 -99.200 -91.000 HIS 286 0.900 0.535 21.318 70.072 -99.200 -91.000