============================================================================= 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 28 0.840 10.151 8.181 16.696 -99.200 -91.000 PHE 32 1.000 22.684 14.844 22.355 -99.200 -91.000 HIS 35 0.900 29.594 21.988 10.667 -99.200 -91.000 HIS 44 0.900 37.182 10.032 19.066 -99.200 -91.000 PHE 46 1.000 28.097 13.288 22.120 -99.200 -91.000 HIS 47 0.900 30.542 8.716 27.648 -99.200 -91.000 HIS 49 0.900 31.617 13.217 31.671 -99.200 -91.000 HIS 72 0.900 29.937 8.519 31.653 -99.200 -91.000 HIS 81 0.900 29.206 4.158 29.745 -99.200 -91.000 TYR 85 0.840 20.881 2.654 21.354 -99.200 -91.000 HIS 90 0.900 27.252 5.954 34.137 -99.200 -91.000 TYR 107 0.840 25.499 8.240 11.641 -99.200 -91.000 HIS 123 0.900 23.193 18.169 34.078 -99.200 -91.000 HIS 128 0.900 35.135 10.250 27.917 -99.200 -91.000 TYR 134 0.840 26.868 2.023 23.023 -99.200 -91.000 PHE 148 1.000 40.899 15.619 21.066 -99.200 -91.000