============================================================================= 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. PHE 2 1.000 21.137 -11.620 81.107 -99.200 -91.000 TYR 27 0.840 12.278 20.994 82.177 -99.200 -91.000 HIS 33 0.900 24.164 23.028 86.610 -99.200 -91.000 TYR 35 0.840 20.822 27.932 84.805 -99.200 -91.000 PHE 41 1.000 12.140 22.689 77.056 -99.200 -91.000 TYR 42 0.840 11.068 26.750 83.386 -99.200 -91.000 PHE 48 1.000 11.896 23.077 89.803 -99.200 -91.000 PHE 49 1.000 4.272 22.216 95.345 -99.200 -91.000 TYR 57 0.840 11.259 28.913 94.032 -99.200 -91.000 PHE 62 1.000 8.929 36.005 90.391 -99.200 -91.000 PHE 66 1.000 14.614 26.846 93.004 -99.200 -91.000 HIS 71 0.900 21.579 23.054 90.646 -99.200 -91.000 TYR 77 0.840 21.553 18.333 88.429 -99.200 -91.000 PHE 79 1.000 15.656 11.908 87.046 -99.200 -91.000 HIS 83 0.900 8.997 2.260 84.002 -99.200 -91.000 TYR 84 0.840 5.042 5.820 85.153 -99.200 -91.000 TYR 95 0.840 17.074 14.523 89.858 -99.200 -91.000 HIS 96 0.900 26.811 10.192 90.433 -99.200 -91.000 PHE 97 1.000 22.900 17.196 92.391 -99.200 -91.000 PHE 104 1.000 25.173 18.763 96.914 -99.200 -91.000 HIS 132 0.900 11.014 20.011 87.342 -99.200 -91.000 TYR 138 0.840 15.350 17.568 99.566 -99.200 -91.000