============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 35.432 -75.747 53.130 -99.200 -91.000 PHE 11 1.000 37.366 -84.674 57.958 -99.200 -91.000 PHE 18 1.000 29.421 -77.042 58.475 -99.200 -91.000 TYR 22 0.840 23.705 -78.580 56.635 -99.200 -91.000 PHE 44 1.000 14.038-100.853 73.391 -99.200 -91.000 HIS 69 0.900 18.809-111.147 70.634 -99.200 -91.000 TYR 74 0.840 13.312 -96.356 63.038 -99.200 -91.000 HIS 83 0.900 18.860 -98.853 53.839 -99.200 -91.000 PHE 95 1.000 27.509-112.741 66.570 -99.200 -91.000 TYR 99 0.840 30.850-115.566 64.827 -99.200 -91.000 PHE 108 1.000 21.387-104.866 66.266 -99.200 -91.000 TYR 115 0.840 24.222-100.144 56.612 -99.200 -91.000 HIS 119 0.900 25.194 -95.756 54.601 -99.200 -91.000 TYR 122 0.840 32.583 -94.662 50.851 -99.200 -91.000 PHE 128 1.000 21.500 -95.299 57.340 -99.200 -91.000 PHE 134 1.000 21.200-100.185 69.031 -99.200 -91.000 HIS 143 0.900 24.238-105.615 77.345 -99.200 -91.000 TYR 145 0.840 24.869-100.519 73.288 -99.200 -91.000 TYR 153 0.840 28.249 -97.989 69.050 -99.200 -91.000 TRP 154 1.040 29.071 -92.374 73.288 -99.200 -91.000 TRP6 154 1.020 31.339 -93.047 73.227 -99.200 -91.000 TYR 156 0.840 23.086 -92.868 75.488 -99.200 -91.000 HIS 178 0.900 14.256 -88.298 92.416 -99.200 -91.000 TYR 196 0.840 0.011 -89.774 77.968 -99.200 -91.000 HIS 199 0.900 1.675 -84.872 72.486 -99.200 -91.000 PHE 207 1.000 0.759 -88.671 73.288 -99.200 -91.000 TRP 213 1.040 7.489-105.739 78.119 -99.200 -91.000 TRP6 213 1.020 7.014-105.932 80.430 -99.200 -91.000 HIS 223 0.900 10.709-105.897 70.775 -99.200 -91.000 PHE 225 1.000 5.713-104.043 69.186 -99.200 -91.000 PHE 237 1.000 2.912 -93.702 87.025 -99.200 -91.000