============================================================================= 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 34.973 -75.511 52.872 -99.200 -91.000 PHE 11 1.000 37.114 -84.495 57.765 -99.200 -91.000 PHE 18 1.000 28.993 -76.817 58.268 -99.200 -91.000 TYR 22 0.840 23.288 -78.441 56.436 -99.200 -91.000 PHE 44 1.000 13.752-100.543 73.313 -99.200 -91.000 HIS 69 0.900 18.594-111.042 70.439 -99.200 -91.000 TYR 74 0.840 12.925 -96.245 62.985 -99.200 -91.000 HIS 83 0.900 18.496 -98.774 53.682 -99.200 -91.000 PHE 95 1.000 27.289-112.532 66.333 -99.200 -91.000 TYR 99 0.840 30.523-115.455 64.664 -99.200 -91.000 PHE 108 1.000 21.113-104.644 66.193 -99.200 -91.000 TYR 115 0.840 23.919 -99.944 56.507 -99.200 -91.000 HIS 119 0.900 24.792 -95.604 54.462 -99.200 -91.000 TYR 122 0.840 32.299 -94.452 50.640 -99.200 -91.000 PHE 128 1.000 21.139 -95.128 57.219 -99.200 -91.000 PHE 134 1.000 20.843-100.023 68.979 -99.200 -91.000 HIS 143 0.900 23.969-105.308 77.327 -99.200 -91.000 TYR 145 0.840 24.634-100.258 73.155 -99.200 -91.000 TYR 153 0.840 28.005 -97.793 68.867 -99.200 -91.000 TRP 154 1.040 28.741 -92.073 73.084 -99.200 -91.000 TRP6 154 1.020 31.011 -92.753 73.122 -99.200 -91.000 TYR 156 0.840 22.897 -92.685 75.482 -99.200 -91.000 HIS 178 0.900 13.807 -88.084 92.430 -99.200 -91.000 TYR 196 0.840 -0.315 -89.583 78.169 -99.200 -91.000 HIS 199 0.900 1.473 -84.885 72.435 -99.200 -91.000 PHE 207 1.000 0.280 -88.604 73.237 -99.200 -91.000 TRP 213 1.040 7.155-105.619 78.207 -99.200 -91.000 TRP6 213 1.020 6.617-105.875 80.495 -99.200 -91.000 HIS 223 0.900 10.325-105.789 70.852 -99.200 -91.000 PHE 225 1.000 5.338-103.861 69.255 -99.200 -91.000 PHE 237 1.000 2.794 -93.479 87.011 -99.200 -91.000