============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 16 0.840 65.279 81.824 14.345 -99.200 -91.000 TYR 30 0.840 47.389 89.417 24.236 -99.200 -91.000 PHE 40 1.000 43.117 90.467 15.098 -99.200 -91.000 PHE 44 1.000 39.807 90.135 27.456 -99.200 -91.000 PHE 50 1.000 50.655 81.159 36.651 -99.200 -91.000 TYR 51 0.840 48.410 79.898 27.733 -99.200 -91.000 TYR 55 0.840 50.706 78.101 23.607 -99.200 -91.000 TYR 57 0.840 53.123 81.592 15.439 -99.200 -91.000 HIS 60 0.900 57.474 80.869 6.861 -99.200 -91.000 TYR 77 0.840 64.803 87.391 34.985 -99.200 -91.000 HIS 110 0.900 71.058 77.576 19.593 -99.200 -91.000 TYR 117 0.840 66.277 77.302 30.405 -99.200 -91.000 HIS 119 0.900 70.128 71.889 33.159 -99.200 -91.000 HIS 136 0.900 46.137 71.449 37.674 -99.200 -91.000 PHE 137 1.000 47.444 76.803 31.127 -99.200 -91.000 PHE 138 1.000 48.689 73.532 27.428 -99.200 -91.000 HIS 140 0.900 41.866 70.272 35.812 -99.200 -91.000 TYR 141 0.840 43.974 75.989 28.190 -99.200 -91.000 TRP 149 1.040 35.731 68.443 24.569 -99.200 -91.000 TRP6 149 1.020 37.141 66.572 24.192 -99.200 -91.000 TRP 155 1.040 54.712 65.365 30.059 -99.200 -91.000 TRP6 155 1.020 55.383 67.429 29.110 -99.200 -91.000 PHE 169 1.000 60.460 73.571 6.846 -99.200 -91.000