============================================================================= 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. TYR 30 0.840 171.198-117.338-227.747 -99.200 -91.000 TYR 36 0.840 175.509-121.077-229.865 -99.200 -91.000 TRP 39 1.040 188.346-126.161-229.068 -99.200 -91.000 TRP6 39 1.020 190.370-124.959-229.010 -99.200 -91.000 TYR 40 0.840 186.125-125.886-236.880 -99.200 -91.000 TYR 53 0.840 178.779-130.551-231.465 -99.200 -91.000 TRP 54 1.040 176.471-125.775-229.212 -99.200 -91.000 TRP6 54 1.020 174.679-127.290-229.226 -99.200 -91.000 PHE 66 1.000 191.895-135.245-230.584 -99.200 -91.000 PHE 75 1.000 185.092-120.721-224.535 -99.200 -91.000 TYR 90 0.840 195.040-130.041-232.932 -99.200 -91.000 TYR 91 0.840 193.808-122.939-237.999 -99.200 -91.000 TYR 95 0.840 179.311-122.485-233.140 -99.200 -91.000 TYR 96 0.840 177.076-114.655-228.481 -99.200 -91.000 PHE 102 1.000 187.423-120.323-238.853 -99.200 -91.000 PHE 120 1.000 222.530-136.630-248.093 -99.200 -91.000 PHE 122 1.000 220.993-133.427-254.227 -99.200 -91.000 PHE 143 1.000 216.287-130.594-239.370 -99.200 -91.000 TYR 144 0.840 212.397-132.476-232.352 -99.200 -91.000 TRP 152 1.040 222.878-121.264-249.762 -99.200 -91.000 TRP6 152 1.020 223.306-123.223-251.010 -99.200 -91.000 TYR 177 0.840 210.065-130.374-237.543 -99.200 -91.000 TYR 190 0.840 227.613-123.086-261.823 -99.200 -91.000 HIS 193 0.900 232.142-115.934-257.529 -99.200 -91.000 TYR 196 0.840 229.209-121.980-256.725 -99.200 -91.000 HIS 202 0.900 219.501-129.084-235.575 -99.200 -91.000 PHE 213 1.000 228.602-127.071-256.248 -99.200 -91.000