============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 36 0.840 -25.616 46.678 75.174 -99.200 -91.000 TRP 39 1.040 -22.946 32.867 72.792 -99.200 -91.000 TRP6 39 1.020 -21.079 31.653 73.575 -99.200 -91.000 TYR 40 0.840 -20.059 37.758 66.459 -99.200 -91.000 TYR 53 0.840 -29.451 40.169 67.791 -99.200 -91.000 TRP 54 1.040 -29.483 43.226 72.326 -99.200 -91.000 TRP6 54 1.020 -31.362 43.721 70.987 -99.200 -91.000 PHE 66 1.000 -26.207 26.671 65.684 -99.200 -91.000 PHE 75 1.000 -23.608 36.765 79.529 -99.200 -91.000 TYR 90 0.840 -20.118 26.972 67.339 -99.200 -91.000 TYR 91 0.840 -13.336 32.798 68.026 -99.200 -91.000 PHE 101 1.000 -14.778 39.314 68.453 -99.200 -91.000 PHE 121 1.000 -0.557 10.055 45.853 -99.200 -91.000 PHE 138 1.000 -5.153 12.023 50.900 -99.200 -91.000 PHE 142 1.000 -7.294 9.829 59.218 -99.200 -91.000 TYR 143 0.840 -14.072 10.572 64.818 -99.200 -91.000 TRP 151 1.040 6.841 8.020 55.814 -99.200 -91.000 TRP6 151 1.020 6.288 7.738 53.534 -99.200 -91.000 TRP 166 1.040 -4.286 14.652 61.020 -99.200 -91.000 TRP6 166 1.020 -2.049 14.742 61.766 -99.200 -91.000 TYR 176 0.840 -10.651 14.905 61.997 -99.200 -91.000 TYR 189 0.840 13.159 8.362 45.270 -99.200 -91.000 HIS 192 0.900 18.806 3.800 51.192 -99.200 -91.000 TYR 195 0.840 12.347 5.211 48.847 -99.200 -91.000 HIS 201 0.900 -7.917 5.558 62.650 -99.200 -91.000 PHE 212 1.000 7.565 4.414 45.791 -99.200 -91.000