============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 66 0.840 19.215 55.437 54.910 -99.200 -91.000 PHE 81 1.000 7.920 54.022 64.226 -99.200 -91.000 PHE 94 1.000 13.671 52.099 53.146 -99.200 -91.000 HIS 95 0.900 7.210 44.740 49.621 -99.200 -91.000 HIS 115 0.900 -1.471 52.473 57.512 -99.200 -91.000 PHE 118 1.000 5.763 43.901 54.067 -99.200 -91.000 PHE 126 1.000 4.780 41.749 74.095 -99.200 -91.000 TRP 138 1.040 0.747 33.982 65.661 -99.200 -91.000 TRP6 138 1.020 1.980 35.725 66.639 -99.200 -91.000 TRP 145 1.040 14.525 36.168 55.327 -99.200 -91.000 TRP6 145 1.020 14.279 38.441 54.676 -99.200 -91.000 PHE 163 1.000 14.248 43.500 64.223 -99.200 -91.000 HIS 178 0.900 30.262 32.510 65.057 -99.200 -91.000 TYR 191 0.840 21.742 30.121 63.580 -99.200 -91.000 TYR 193 0.840 22.575 34.101 62.194 -99.200 -91.000 TYR 194 0.840 31.170 27.193 64.628 -99.200 -91.000