============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 7 1.000 51.616 99.023 27.880 -99.200 -91.000 HIS 9 0.900 52.632 102.549 32.890 -99.200 -91.000 HIS 25 0.900 48.351 96.096 30.289 -99.200 -91.000 PHE 29 1.000 52.609 103.295 39.631 -99.200 -91.000 HIS 35 0.900 65.645 83.336 39.134 -99.200 -91.000 HIS 47 0.900 49.394 100.217 42.218 -99.200 -91.000 HIS 53 0.900 63.984 79.888 40.762 -99.200 -91.000 TYR 63 0.840 41.074 92.198 38.588 -99.200 -91.000 PHE 65 1.000 46.508 97.760 45.631 -99.200 -91.000 TYR 77 0.840 61.645 79.554 51.452 -99.200 -91.000 HIS 99 0.900 53.016 83.632 50.777 -99.200 -91.000 HIS 122 0.900 48.179 82.435 52.430 -99.200 -91.000 HIS 125 0.900 53.959 76.117 53.619 -99.200 -91.000 HIS 144 0.900 53.042 71.123 53.765 -99.200 -91.000 PHE 150 1.000 34.224 71.266 37.481 -99.200 -91.000 HIS 160 0.900 42.285 73.639 60.918 -99.200 -91.000 PHE 162 1.000 51.047 68.321 56.116 -99.200 -91.000 HIS 168 0.900 32.250 68.274 40.412 -99.200 -91.000 TYR 184 0.840 31.199 63.404 43.273 -99.200 -91.000 HIS 191 0.900 38.307 72.067 64.253 -99.200 -91.000 PHE 195 1.000 26.014 70.692 58.254 -99.200 -91.000 PHE 207 1.000 28.935 64.972 38.128 -99.200 -91.000 TYR 219 0.840 26.657 62.439 52.682 -99.200 -91.000 TYR 223 0.840 30.294 61.414 55.928 -99.200 -91.000 TYR 243 0.840 25.127 53.506 39.080 -99.200 -91.000 PHE 249 1.000 31.996 59.525 47.152 -99.200 -91.000 PHE 252 1.000 38.538 62.239 50.104 -99.200 -91.000 PHE 253 1.000 36.769 56.810 50.465 -99.200 -91.000