============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 35 1.000 25.424 46.716 21.922 -99.200 -91.000 HIS 37 0.900 29.095 51.979 20.039 -99.200 -91.000 TRP 38 1.040 27.378 59.973 21.531 -99.200 -91.000 TRP6 38 1.020 26.337 61.558 20.162 -99.200 -91.000 TYR 39 0.840 32.758 56.451 15.972 -99.200 -91.000 TYR 52 0.840 33.030 51.577 25.302 -99.200 -91.000 PHE 65 1.000 34.617 65.436 24.397 -99.200 -91.000 PHE 74 1.000 20.688 56.074 22.361 -99.200 -91.000 TYR 89 0.840 32.073 66.313 18.522 -99.200 -91.000 TYR 90 0.840 30.379 61.882 11.493 -99.200 -91.000 PHE 101 1.000 29.452 54.929 11.274 -99.200 -91.000 PHE 121 1.000 43.458 88.279 -7.541 -99.200 -91.000 PHE 138 1.000 42.239 83.798 -4.514 -99.200 -91.000 PHE 142 1.000 32.530 83.580 4.036 -99.200 -91.000 TYR 143 0.840 30.501 83.094 12.566 -99.200 -91.000 TRP 151 1.040 31.848 83.282 -11.042 -99.200 -91.000 TRP6 151 1.020 33.677 84.793 -11.224 -99.200 -91.000 TRP 166 1.040 32.571 77.345 0.628 -99.200 -91.000 TRP6 166 1.020 31.906 75.862 -1.068 -99.200 -91.000 TYR 176 0.840 33.531 78.753 8.564 -99.200 -91.000 TYR 189 0.840 38.890 86.805 -20.317 -99.200 -91.000 HIS 192 0.900 31.007 86.884 -23.429 -99.200 -91.000 TYR 195 0.840 34.647 88.168 -18.458 -99.200 -91.000 HIS 201 0.900 28.119 86.754 5.008 -99.200 -91.000 PHE 212 1.000 37.834 90.793 -15.225 -99.200 -91.000