============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 14 0.840 120.907 15.620 63.714 -99.200 -91.000 TYR 27 0.840 118.074 20.939 60.201 -99.200 -91.000 PHE 45 1.000 127.528 24.567 76.917 -99.200 -91.000 TYR 48 0.840 118.478 22.021 78.591 -99.200 -91.000 PHE 50 1.000 123.509 20.036 75.094 -99.200 -91.000 HIS 55 0.900 119.745 6.331 62.750 -99.200 -91.000 PHE 65 1.000 122.061 18.069 87.025 -99.200 -91.000 HIS 67 0.900 114.009 19.852 91.919 -99.200 -91.000 PHE 70 1.000 116.737 23.261 83.523 -99.200 -91.000 PHE 75 1.000 119.876 25.962 75.420 -99.200 -91.000 HIS 93 0.900 111.965 32.088 66.807 -99.200 -91.000 PHE 105 1.000 109.812 18.376 58.933 -99.200 -91.000 PHE 117 1.000 109.184 24.006 58.095 -99.200 -91.000 HIS 118 0.900 113.376 31.844 59.067 -99.200 -91.000 PHE 123 1.000 108.322 19.419 54.019 -99.200 -91.000 PHE 136 1.000 104.743 25.412 60.029 -99.200 -91.000 HIS 139 0.900 105.376 33.894 55.090 -99.200 -91.000 TYR 142 0.840 106.540 25.766 46.933 -99.200 -91.000 PHE 166 1.000 95.184 23.490 57.473 -99.200 -91.000 PHE 177 1.000 92.435 35.007 52.508 -99.200 -91.000 PHE 196 1.000 93.407 30.816 44.823 -99.200 -91.000 TYR 213 0.840 85.005 29.072 49.575 -99.200 -91.000