============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 23 0.900 -40.085 136.782-113.664 -99.200 -91.000 HIS 26 0.900 -35.464 138.234-107.185 -99.200 -91.000 TYR 28 0.840 -36.154 130.006-113.986 -99.200 -91.000 HIS 32 0.900 -33.287 125.144-104.563 -99.200 -91.000 TYR 33 0.840 -35.541 129.394-101.765 -99.200 -91.000 TYR 40 0.840 -40.984 115.104-105.796 -99.200 -91.000 HIS 57 0.900 -27.807 133.585-118.858 -99.200 -91.000 PHE 61 1.000 -28.109 140.111-120.744 -99.200 -91.000 TYR 90 0.840 -40.004 121.097-113.644 -99.200 -91.000 TYR 104 0.840 -32.615 137.451-123.196 -99.200 -91.000 PHE 107 1.000 -34.689 142.661-125.469 -99.200 -91.000 PHE 123 1.000 -29.062 140.842-125.684 -99.200 -91.000 HIS 133 0.900 -30.914 128.100-118.496 -99.200 -91.000 TYR 136 0.840 -33.920 120.437-116.237 -99.200 -91.000 TYR 137 0.840 -36.685 125.245-116.596 -99.200 -91.000 HIS 143 0.900 -39.452 112.392-119.387 -99.200 -91.000 TYR 151 0.840 -40.031 112.034-114.392 -99.200 -91.000 PHE 169 1.000 -15.296 139.853 -96.087 -99.200 -91.000