============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 195.275 19.475 4.945 -99.200 -91.000 PHE 5 1.000 203.119 20.442 -1.031 -99.200 -91.000 TYR 28 0.840 180.115 7.087 -9.949 -99.200 -91.000 TYR 44 0.840 168.641 8.436 -25.271 -99.200 -91.000 TYR 48 0.840 162.281 5.046 -29.706 -99.200 -91.000 TYR 50 0.840 156.432 11.776 -22.167 -99.200 -91.000 HIS 51 0.900 160.608 11.950 -31.277 -99.200 -91.000 PHE 54 1.000 155.596 14.723 -33.251 -99.200 -91.000 TYR 56 0.840 146.997 8.032 -31.651 -99.200 -91.000 PHE 57 1.000 147.508 12.008 -28.637 -99.200 -91.000 PHE 70 1.000 152.650 17.457 -22.222 -99.200 -91.000 PHE 71 1.000 151.696 13.264 -24.880 -99.200 -91.000 HIS 81 0.900 164.184 15.508 -17.631 -99.200 -91.000 TYR 88 0.840 176.684 12.605 -11.047 -99.200 -91.000 PHE 108 1.000 150.465 6.094 -27.491 -99.200 -91.000 HIS 110 0.900 140.739 3.067 -23.208 -99.200 -91.000 HIS 118 0.900 145.066 4.422 -23.237 -99.200 -91.000 HIS 138 0.900 168.282 10.041 -2.385 -99.200 -91.000 PHE 152 1.000 173.137 14.651 -11.194 -99.200 -91.000 TYR 157 0.840 167.946 13.862 -13.191 -99.200 -91.000 TYR 171 0.840 148.895 19.259 -18.961 -99.200 -91.000 HIS 182 0.900 132.958 22.703 -28.137 -99.200 -91.000 TRP 185 1.040 139.333 21.277 -31.660 -99.200 -91.000 TRP6 185 1.020 138.573 23.495 -31.368 -99.200 -91.000 HIS 186 0.900 137.597 25.525 -24.953 -99.200 -91.000 PHE 187 1.000 143.827 19.455 -21.671 -99.200 -91.000 HIS 193 0.900 147.100 28.803 -29.357 -99.200 -91.000