============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 3 0.900 92.107 183.399 118.624 -99.200 -91.000 HIS 11 0.900 81.470 179.249 133.176 -99.200 -91.000 HIS 25 0.900 98.196 165.495 127.851 -99.200 -91.000 PHE 26 1.000 92.315 174.264 126.046 -99.200 -91.000 HIS 37 0.900 90.542 161.423 137.104 -99.200 -91.000 HIS 44 0.900 92.142 149.851 123.642 -99.200 -91.000 PHE 63 1.000 96.336 165.937 117.513 -99.200 -91.000 PHE 92 1.000 78.041 156.755 138.161 -99.200 -91.000 HIS 96 0.900 80.347 151.391 146.962 -99.200 -91.000 TYR 102 0.840 92.694 158.150 137.466 -99.200 -91.000 HIS 112 0.900 74.775 165.241 130.301 -99.200 -91.000 PHE 128 1.000 76.598 148.021 122.063 -99.200 -91.000 TYR 140 0.840 82.722 147.472 134.120 -99.200 -91.000 TYR 149 0.840 68.952 157.412 142.574 -99.200 -91.000 PHE 159 1.000 62.598 149.668 131.090 -99.200 -91.000