============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 14 1.040 53.835 69.608 67.612 -99.200 -91.000 TRP6 14 1.020 53.535 67.331 68.167 -99.200 -91.000 HIS 18 0.900 43.956 69.148 68.242 -99.200 -91.000 TYR 28 0.840 48.057 64.914 69.073 -99.200 -91.000 PHE 37 1.000 61.181 59.885 62.361 -99.200 -91.000 PHE 48 1.000 50.233 60.015 62.522 -99.200 -91.000 HIS 52 0.900 55.129 53.207 70.995 -99.200 -91.000 HIS 60 0.900 59.814 43.971 74.043 -99.200 -91.000 TRP 64 1.040 62.031 52.561 66.920 -99.200 -91.000 TRP6 64 1.020 63.045 53.745 65.134 -99.200 -91.000 PHE 74 1.000 47.379 66.001 51.249 -99.200 -91.000 TYR 86 0.840 62.300 59.422 57.406 -99.200 -91.000 HIS 96 0.900 68.047 42.332 64.586 -99.200 -91.000 PHE 111 1.000 51.248 50.055 53.580 -99.200 -91.000 TYR 112 0.840 51.488 47.667 57.925 -99.200 -91.000 HIS 115 0.900 55.028 48.757 51.468 -99.200 -91.000 PHE 117 1.000 56.452 45.656 58.429 -99.200 -91.000 HIS 122 0.900 44.884 33.725 63.635 -99.200 -91.000 PHE 123 1.000 48.795 38.094 69.308 -99.200 -91.000 PHE 127 1.000 42.626 43.385 70.517 -99.200 -91.000 TYR 128 0.840 32.951 41.183 74.824 -99.200 -91.000 HIS 132 0.900 29.306 38.814 67.731 -99.200 -91.000 TYR 133 0.840 35.390 36.821 73.347 -99.200 -91.000 TYR 137 0.840 46.015 37.515 60.898 -99.200 -91.000 TYR 139 0.840 51.056 40.542 59.020 -99.200 -91.000 TYR 141 0.840 61.538 45.087 56.663 -99.200 -91.000 PHE 142 1.000 62.723 39.645 62.191 -99.200 -91.000