P1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.171 CA :: 62.653 CB :: 31.850 CG :: 27.008 CD :: 49.862 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.479 HB2 :: 2.040 HB3 :: 1.740 HG2 :: 1.727 HG3 :: 1.554 HD2 :: 3.499 HD3 :: 3.323 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.949 CA :: 57.863 CB :: 62.875 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.553 HA :: 4.576 HB2 :: 3.964 HB3 :: 3.855 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.967 Ave N Shift Values>> N :: 116.3(3.95) T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.402 CA :: 61.026 CB :: 69.178 CG2 :: 22.657 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.855 HA :: 4.178 HB :: 4.219 HG2 :: 1.124 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.467 Ave N Shift Values>> N :: 115.7(5.05) I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.36 C Shift Assignments>> C :: 176.215 CA :: 60.118 CB :: 37.743 CG1 :: 27.295 CG2 :: 18.944 CD1 :: 9.589 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.027 HA :: 4.339 HB :: 2.011 HG2 :: 1.080 HG12 :: 1.821 HG13 :: 1.410 HD1 :: 0.883 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.275 Ave N Shift Values>> N :: 121.6(4.72) W5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.44 H 0.01 C Shift Assignments>> C :: 174.103 CA :: 58.791 CB :: 30.774 CD1 :: 126.768 CE3 :: 121.814 CZ2 :: 114.536 CZ3 :: 121.990 CH2 :: 123.851 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.173 HA :: 4.568 HB2 :: 3.495 HB3 :: 3.190 HD1 :: 7.701 HE1 :: 10.817 HE3 :: 7.597 HZ2 :: 8.004 HZ3 :: 6.759 HH2 :: 7.130 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.514 NE1 :: 130.782 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) H6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 H 0.39 W 0.21 C Shift Assignments>> C :: 174.768 CA :: 59.867 CB :: 29.397 CD2 :: 117.813 CE1 :: 134.588 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.281 HA :: 3.167 HB2 :: 2.873 HB3 :: 0.857(S) HD2 :: 6.963 HE1 :: 6.990 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 132.563 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 Q 0.14 W 0.13 E 0.13 H 0.12 C 0.11 R 0.09 I 0.04 M 0.02 L 0.02 C Shift Assignments>> C :: 173.638 CA :: 57.504 CB :: 28.940 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.915 HA :: 4.673 HB2 :: 3.447 HB3 :: 2.839 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.576 Ave N Shift Values>> N :: 119.95(4.79) F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 HN Overlap>> E39 C Shift Assignments>> C :: 176.601 CA :: 59.909 CB :: 40.544 CD1 :: 132.565 CD2 :: 132.565 CE1 :: 131.079 CE2 :: 131.079 CZ :: 128.944 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.442 HA :: 5.432 HB2 :: 3.534 HB3 :: 3.534 HD1 :: 7.532 HD2 :: 7.532 HE1 :: 6.941 HE2 :: 6.941 HZ :: 6.322 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.261 Ave N Shift Values>> N :: 120.69(4.18) L9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 C 0.24 R 0.11 G 0.1 A 0.02 C Shift Assignments>> C :: 178.141 CA :: 54.440 CB :: 43.440 CG :: 27.295 CD1 :: 23.420 CD2 :: 25.422 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 11.088(S) HA :: 4.540 HB2 :: 1.841 HB3 :: 1.785 HG :: 1.427 HD1 :: 0.598 HD2 :: 0.373 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.545 Ave N Shift Values>> N :: 121.98(4.07) K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.19 M 0.02 C Shift Assignments>> C :: 176.242 CA :: 58.959 CB :: 33.004 CG :: 25.154 CD :: 29.703 CE :: 42.013 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.716 HA :: 4.026 HB2 :: 1.933 HB3 :: 1.836 HG2 :: 1.619 HG3 :: 1.481 HD2 :: 1.760 HD3 :: 1.760 HE2 :: 3.080 HE3 :: 3.080 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.548 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 174.576 CA :: 44.956 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.712 HA2 :: 4.420 HA3 :: 3.827 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.872 Ave N Shift Values>> N :: 109.91(4.29) T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.640 CA :: 63.984 CB :: 69.254 CG2 :: 22.568 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.699 HA :: 4.908 HB :: 4.139 HG1 :: 6.493 HG2 :: 1.217 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.438 Ave N Shift Values>> N :: 115.7(5.05) R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.25 R 0.13 K 0.07 C Shift Assignments>> C :: 174.824 CA :: 54.695 CB :: 34.520 CG :: 27.473 CD :: 43.975 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.951 HA :: 5.290 HB2 :: 1.788 HB3 :: 1.636 HG2 :: 1.734 HG3 :: 1.614 HD2 :: 3.088 HD3 :: 3.088 HE :: 6.998 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.487 NE :: 82.950 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.24 C 0.22 R 0.05 C Shift Assignments>> C :: 175.795 CA :: 54.288 CB :: 45.045 CG :: 27.415 CD1 :: 27.177 CD2 :: 24.173 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.544 HA :: 4.635 HB2 :: 1.488 HB3 :: 0.730 HG :: 1.366 HD1 :: 0.362 HD2 :: 0.341 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.343 Ave N Shift Values>> N :: 121.98(4.07) C15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.24 L 0.18 K 0.13 C 0.11 F 0.1 Y 0.09 N 0.07 R 0.03 C Shift Assignments>> C :: 173.287 CA :: 54.946 CB :: 41.031 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.819 HA :: 4.478 HB2 :: 1.979 HB3 :: 0.985(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.200 Ave N Shift Values>> N :: 119.95(4.79) F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.683 CA :: 59.140 CB :: 38.680 CD1 :: 131.479 CD2 :: 131.479 CE1 :: 131.061 CE2 :: 131.061 CZ :: 129.355 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.622 HA :: 4.421 HB2 :: 3.186 HB3 :: 2.672 HD1 :: 6.756 HD2 :: 6.756 HE1 :: 5.544 HE2 :: 5.544 HZ :: 5.703 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 128.763 Ave N Shift Values>> N :: 120.69(4.18) H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 C 0.33 H 0.27 C Shift Assignments>> C :: 176.917 CA :: 59.000 CB :: 30.994 CE1 :: 137.169 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.694 HA :: 4.125 HB2 :: 3.138 HB3 :: 3.138 HD2 :: 7.014 HE1 :: 7.639 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.014 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 G 0.35 R 0.15 M 0.02 K 0.02 C Shift Assignments>> C :: 176.744 CA :: 57.482 CB :: 33.162 CG :: 25.432 CD :: 29.610 CE :: 44.940 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.141 HA :: 4.300 HB2 :: 1.963 HB3 :: 1.918 HG2 :: 1.511 HG3 :: 1.511 HD2 :: 1.772 HD3 :: 1.772 HE2 :: 3.080 HE3 :: 3.080 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.769 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 K 0.07 M 0.07 I 0.05 Q 0.02 C Shift Assignments>> C :: 176.960 CA :: 55.839 CB :: 29.846 CG :: 36.675 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.700 HA :: 4.355 HB2 :: 2.197 HB3 :: 1.994 HG2 :: 2.360 HG3 :: 2.281 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.089 Ave N Shift Values>> N :: 120.68(3.68) S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.137 CA :: 60.185 CB :: 63.162 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.253 HA :: 4.222 HB2 :: 3.926 HB3 :: 3.926 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.683 Ave N Shift Values>> N :: 116.3(3.95) N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.19 D 0.13 Y 0.09 F 0.07 E 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 174.894 CA :: 53.519 CB :: 38.266 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.386 HA :: 4.652 HB2 :: 2.832 HB3 :: 2.832 HD21 :: 7.657 HD22 :: 6.945 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.394 ND2 :: 113.629 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.33 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 175.145 CA :: 56.150 CB :: 32.073 CG :: 24.956 CD :: 29.027 CE :: 42.191 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.958 HA :: 4.154 HB2 :: 1.753 HB3 :: 1.753 HG2 :: 1.353 HG3 :: 1.353 HD2 :: 1.574 HD3 :: 1.574 HE2 :: 2.940 HE3 :: 2.940 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.997 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 M 0.21 Q 0.03 K 0.03 I 0.01 C Shift Assignments>> C :: 175.279 CA :: 55.244 CB :: 31.374 CG :: 36.227 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.796 HA :: 4.266 HB2 :: 2.053 HB3 :: 1.934 HG2 :: 2.292 HG3 :: 2.204 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.212 Ave N Shift Values>> N :: 120.68(3.68) W24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.46 H 0.03 C Shift Assignments>> C :: 177.139 CA :: 57.194 CB :: 30.952 CD1 :: 127.877 CE3 :: 120.115 CZ2 :: 114.310 CZ3 :: 122.577 CH2 :: 123.430 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.184 HA :: 4.599 HB2 :: 3.107 HB3 :: 2.928 HD1 :: 7.373 HE1 :: 10.039 HE3 :: 7.064 HZ2 :: 7.304 HZ3 :: 6.775 HH2 :: 6.722 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.074 NE1 :: 129.567 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.39 E 0.1 Q 0.08 C Shift Assignments>> C :: 175.653 CA :: 54.442 CB :: 32.838 CG :: 34.692 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.420 HA :: 4.874 HB2 :: 2.215 HB3 :: 1.942 HG2 :: 2.470 HG3 :: 2.415 HE21 :: 7.702 HE22 :: 7.002 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.072 NE2 :: 111.442 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.2 K 0.15 D 0.12 C 0.1 F 0.06 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 178.311 CA :: 55.392 CB :: 42.637 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.502 HA :: 4.743 HB2 :: 2.951 HB3 :: 2.815 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.042 Ave N Shift Values>> N :: 120.73(4.2) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> V80 C Shift Assignments>> C :: 175.286 CA :: 65.446 CB :: 32.078 CG1 :: 22.976 CG2 :: 20.879 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.651 HA :: 4.076 HB :: 2.205 HG1 :: 1.521 HG2 :: 1.428 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.464 Ave N Shift Values>> N :: 121.02(4.96) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.37 E 0.09 C Shift Assignments>> C :: 179.185 CA :: 60.380 CB :: 29.898 CG :: 38.841 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.127 HA :: 4.112 HB2 :: 2.284 HB3 :: 2.145 HG2 :: 2.529 HG3 :: 2.469 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.711 Ave N Shift Values>> N :: 120.68(3.68) D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 L 0.12 D 0.11 K 0.1 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 178.684 CA :: 57.087 CB :: 40.496 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.573 HA :: 4.545 HB2 :: 2.971 HB3 :: 2.873 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.200 Ave N Shift Values>> N :: 120.73(4.2) F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 HN Overlap>> K48 C Shift Assignments>> C :: 176.889 CA :: 61.517 CB :: 39.604 CD1 :: 131.065 CD2 :: 131.065 CE1 :: 131.065 CE2 :: 131.065 CZ :: 129.342 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.392 HA :: 4.061 HB2 :: 2.839 HB3 :: 2.839 HD1 :: 6.579 HD2 :: 6.579 HE1 :: 6.078 HE2 :: 6.078 HZ :: 6.373 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.914 Ave N Shift Values>> N :: 120.69(4.18) A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.41 C 0.04 L 0.01 I 0.01 V 0.01 HN Overlap>> C118 C Shift Assignments>> C :: 179.589 CA :: 54.494 CB :: 19.356 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.425 HA :: 3.928 HB :: 1.673 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.932 Ave N Shift Values>> N :: 123.23(3.7) R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.11 G 0.08 C Shift Assignments>> C :: 177.896 CA :: 58.213 CB :: 30.423 CG :: 27.921 CD :: 43.462 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.589 HA :: 4.157 HB2 :: 2.003 HB3 :: 1.946 HG2 :: 1.833 HG3 :: 1.704 HD2 :: 3.300 HD3 :: 3.300 HE :: 7.322 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.315 NE :: 84.582 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.33 C 0.02 C Shift Assignments>> C :: 178.461 CA :: 53.624 CB :: 18.554 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.635 HA :: 4.186 HB :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.881 Ave N Shift Values>> N :: 123.23(3.7) A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 C 0.02 C Shift Assignments>> C :: 178.115 CA :: 52.805 CB :: 18.732 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.916 HA :: 4.136 HB :: 1.126 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.927 Ave N Shift Values>> N :: 123.23(3.7) S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.530 CA :: 58.833 CB :: 63.642 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.798 HA :: 4.490 HB2 :: 3.995 HB3 :: 3.995 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.488 Ave N Shift Values>> N :: 116.3(3.95) C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.13 R 0.12 W 0.12 C 0.12 Q 0.12 E 0.1 I 0.09 H 0.09 L 0.03 M 0.01 C Shift Assignments>> C :: 174.263 CA :: 58.519 CB :: 28.308 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.033 HA :: 4.540 HB2 :: 2.984 HB3 :: 2.984 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.534 Ave N Shift Values>> N :: 119.95(4.79) D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.08 R 0.03 C Shift Assignments>> C :: 175.725 CA :: 54.679 CB :: 41.129 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.376 HA :: 4.635 HB2 :: 2.733 HB3 :: 2.649 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.437 Ave N Shift Values>> N :: 120.73(4.2) N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.22 C 0.14 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> C :: 175.351 CA :: 53.239 CB :: 39.165 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.184 HA :: 4.759 HB2 :: 2.880 HB3 :: 2.802 HD21 :: 7.634 HD22 :: 6.959 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.519 ND2 :: 112.461 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.08 K 0.07 M 0.07 Q 0.03 HN Overlap>> F8 C Shift Assignments>> C :: 176.896 CA :: 57.513 CB :: 30.091 CG :: 36.411 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.517 HA :: 4.208 HB2 :: 2.113 HB3 :: 2.001 HG2 :: 2.311 HG3 :: 2.272 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.304 Ave N Shift Values>> N :: 120.68(3.68) E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.09 I 0.07 K 0.06 Q 0.03 C Shift Assignments>> C :: 176.920 CA :: 57.309 CB :: 30.348 CG :: 36.468 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.326 HA :: 4.234 HB2 :: 2.097 HB3 :: 1.981 HG2 :: 2.313 HG3 :: 2.270 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.844 Ave N Shift Values>> N :: 120.68(3.68) E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.06 I 0.05 Q 0.03 C Shift Assignments>> C :: 176.860 CA :: 57.008 CB :: 30.445 CG :: 36.397 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.159 HA :: 4.246 HB2 :: 2.070 HB3 :: 1.992 HG2 :: 2.291 HG3 :: 2.235 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.229 Ave N Shift Values>> N :: 120.68(3.68) I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.589 CA :: 61.695 CB :: 38.547 CG1 :: 28.157 CG2 :: 17.691 CD1 :: 13.380 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.986 HA :: 4.113 HB :: 1.896 HG2 :: 0.899 HG12 :: 1.488 HG13 :: 1.176 HD1 :: 0.868 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.803 Ave N Shift Values>> N :: 121.6(4.72) Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.24 E 0.12 M 0.05 R 0.05 C Shift Assignments>> C :: 176.237 CA :: 56.056 CB :: 29.085 CG :: 33.922 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.364 HA :: 4.330 HB2 :: 2.139 HB3 :: 2.028 HG2 :: 2.400 HG3 :: 2.400 HE21 :: 7.506 HE22 :: 6.826 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.390 NE2 :: 112.409 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.4 A 0.11 C Shift Assignments>> C :: 176.722 CA :: 55.694 CB :: 32.944 CG :: 32.291 CE :: 16.770 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.331 HA :: 4.479 HB2 :: 2.102 HB3 :: 2.062 HG2 :: 2.634 HG3 :: 2.556 HE :: 2.041 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.774 Ave N Shift Values>> N :: 120.1(3.88) G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.273 CA :: 45.642 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.417 HA2 :: 3.960 HA3 :: 3.960 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.568 Ave N Shift Values>> N :: 109.91(4.29) T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 62.557 CB :: 69.841 CG2 :: 21.706 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.857 HA :: 4.195 HB :: 3.993 HG2 :: 0.961 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.654 Ave N Shift Values>> N :: 115.7(5.05) H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.37 W 0.35 C 0.26 C Shift Assignments>> C :: 175.119 CA :: 55.791 CB :: 29.590 CD2 :: 119.749 CE1 :: 137.008 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.650 HB2 :: 3.202 HB3 :: 3.072 HD2 :: 6.821 HE1 :: 8.142 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.35 R 0.24 M 0.02 G 0.02 HN Overlap>> F30 C Shift Assignments>> C :: 177.552 CA :: 57.625 CB :: 32.845 CG :: 25.169 CD :: 29.403 CE :: 42.637 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.338 HA :: 4.315 HB2 :: 1.918 HB3 :: 1.865 HG2 :: 1.467 HG3 :: 1.467 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.010 HE3 :: 3.010 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.008 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.853 CA :: 45.316 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.776 HA2 :: 4.170 HA3 :: 4.116 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.587 Ave N Shift Values>> N :: 109.91(4.29) Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 178.112 CA :: 60.167 CB :: 39.248 CD1 :: 133.132 CD2 :: 133.132 CE1 :: 118.602 CE2 :: 118.602 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.235 HA :: 4.268 HB2 :: 3.510 HB3 :: 3.445 HD1 :: 7.301 HD2 :: 7.301 HE1 :: 6.906 HE2 :: 6.906 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.578 Ave N Shift Values>> N :: 120.79(4.69) G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.24 P 0.03 L 0.02 A 0.02 N 0.01 C Shift Assignments>> C :: 178.757 CA :: 47.479 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.228 HA2 :: 3.885 HA3 :: 3.712 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.278 Ave N Shift Values>> N :: 109.91(4.29) S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.320 CA :: 62.110 CB :: 62.760 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.232 HA :: 4.072 HB2 :: 4.050 HB3 :: 4.050 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.681 Ave N Shift Values>> N :: 116.3(3.95) D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.24 K 0.14 C 0.1 R 0.08 N 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.664 CA :: 53.810 CB :: 41.976 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.488 HA :: 5.243 HB2 :: 2.954 HB3 :: 2.600 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.626 Ave N Shift Values>> N :: 120.73(4.2) G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.11 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.203 CA :: 43.563 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.740 HA2 :: 4.310 HA3 :: 3.690 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.300 Ave N Shift Values>> N :: 109.91(4.29) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.36 C 0.11 C Shift Assignments>> C :: 174.726 CA :: 52.270 CB :: 44.767 CG :: 26.042 CD1 :: 24.663 CD2 :: 24.663 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.681 HA :: 4.651 HB2 :: 1.323 HB3 :: 1.032 HG :: 1.300 HD1 :: 0.831 HD2 :: -0.036 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.680 Ave N Shift Values>> N :: 121.98(4.07) K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.13 M 0.04 C Shift Assignments>> C :: 176.415 CA :: 56.157 CB :: 33.966 CG :: 24.722 CD :: 29.717 CE :: 41.576 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.984 HA :: 4.779 HB2 :: 2.036 HB3 :: 1.877 HG2 :: 1.304 HG3 :: 1.122 HD2 :: 1.711 HD3 :: 1.711 HE2 :: 2.992 HE3 :: 2.992 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.397 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.29 R 0.19 K 0.02 G 0.01 C Shift Assignments>> C :: 175.694 CA :: 56.021 CB :: 42.340 CG :: 27.372 CD1 :: 26.770 CD2 :: 24.211 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.060 HA :: 4.148 HB2 :: 2.062 HB3 :: 1.310 HG :: 1.302 HD1 :: 0.721 HD2 :: 0.577 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.471 Ave N Shift Values>> N :: 121.98(4.07) L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.26 G 0.26 R 0.07 A 0.03 C Shift Assignments>> C :: 177.366 CA :: 55.823 CB :: 44.317 CG :: 26.363 CD1 :: 26.551 CD2 :: 22.492 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.348 HA :: 4.576 HB2 :: 1.580 HB3 :: 1.501 HG :: 1.742 HD1 :: 0.932 HD2 :: 0.879 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.844 Ave N Shift Values>> N :: 121.98(4.07) S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.262 CA :: 57.260 CB :: 64.811 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.382 HA :: 4.603 HB2 :: 3.832 HB3 :: 3.756 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.628 Ave N Shift Values>> N :: 116.3(3.95) H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 H 0.23 W 0.21 HN Overlap>> S69 C Shift Assignments>> C :: 172.123 CA :: 53.787 CB :: 34.250 CD2 :: 120.368 CE1 :: 138.137 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.612 HA :: 5.243 HB2 :: 2.957 HB3 :: 2.707 HD2 :: 6.416 HE1 :: 8.088 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.338 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.22 E 0.11 C Shift Assignments>> C :: 173.891 CA :: 54.536 CB :: 33.718 CG :: 36.372 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.380 HA :: 4.471 HB2 :: 2.111 HB3 :: 1.981 HG2 :: 2.206 HG3 :: 2.100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.004 Ave N Shift Values>> N :: 120.68(3.68) E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.3 M 0.17 I 0.02 HN Overlap>> E88 C Shift Assignments>> C :: 175.809 CA :: 55.604 CB :: 31.919 CG :: 37.187 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.594 HA :: 5.156 HB2 :: 2.076 HB3 :: 1.866 HG2 :: 2.310 HG3 :: 2.310 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.975 Ave N Shift Values>> N :: 120.68(3.68) S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.197 CA :: 56.017 CB :: 64.724 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.820 HA :: 4.737 HB2 :: 3.621 HB3 :: 3.454 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.249 Ave N Shift Values>> N :: 116.3(3.95) V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.870 CA :: 61.260 CB :: 33.680 CG1 :: 21.319 CG2 :: 20.605 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.240 HA :: 4.780 HB :: 1.824 HG1 :: 0.838 HG2 :: 0.715 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.660 Ave N Shift Values>> N :: 121.02(4.96) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.726 CA :: 56.641 CB :: 64.418 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.952 HA :: 4.421 HB2 :: 3.524 HB3 :: 3.350 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.089 Ave N Shift Values>> N :: 116.3(3.95) F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 F 0.44 C Shift Assignments>> C :: 176.255 CA :: 59.300 CB :: 36.510 CD1 :: 132.298 CD2 :: 132.298 CE1 :: 131.159 CE2 :: 131.159 CZ :: 128.965 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.965 HA :: 4.152 HB2 :: 3.295 HB3 :: 3.099 HD1 :: 7.225 HD2 :: 7.225 HE1 :: 7.262 HE2 :: 7.262 HZ :: 7.260 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.533 Ave N Shift Values>> N :: 120.69(4.18) G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.416 CA :: 45.500 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.273 HA2 :: 4.172 HA3 :: 3.530 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.660 Ave N Shift Values>> N :: 109.91(4.29) E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.32 E 0.18 Q 0.03 C Shift Assignments>> C :: 175.134 CA :: 54.298 CB :: 32.600 CG :: 35.838 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.783 HA :: 4.712 HB2 :: 2.111 HB3 :: 1.934 HG2 :: 2.281 HG3 :: 2.250 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.890 Ave N Shift Values>> N :: 120.68(3.68) S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> H60 C Shift Assignments>> C :: 173.283 CA :: 59.585 CB :: 63.762 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.704 HA :: 4.923 HB2 :: 3.872 HB3 :: 3.742 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.375 Ave N Shift Values>> N :: 116.3(3.95) V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.14 I 0.07 C Shift Assignments>> C :: 174.895 CA :: 59.511 CB :: 36.095 CG1 :: 22.090 CG2 :: 18.607 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.644 HA :: 4.734 HB :: 2.190 HG1 :: 0.811 HG2 :: 0.512 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.493 Ave N Shift Values>> N :: 121.02(4.96) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.24 G 0.19 R 0.18 A 0.01 C Shift Assignments>> C :: 175.797 CA :: 53.922 CB :: 43.837 CG :: 26.847 CD1 :: 27.572 CD2 :: 23.916 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.970 HA :: 4.719 HB2 :: 2.061 HB3 :: 1.001 HG :: 1.698 HD1 :: 1.052 HD2 :: 0.690 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.982 Ave N Shift Values>> N :: 121.98(4.07) K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.34 R 0.22 M 0.02 C Shift Assignments>> C :: 176.295 CA :: 54.744 CB :: 33.930 CG :: 25.689 CD :: 29.793 CE :: 41.745 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.726 HA :: 5.588 HB2 :: 1.650 HB3 :: 1.520 HG2 :: 1.344 HG3 :: 1.196 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.890 HE3 :: 2.890 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.486 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.17 L 0.12 R 0.04 C Shift Assignments>> C :: 175.731 CA :: 52.623 CB :: 45.177 CG :: 28.101 CD1 :: 26.860 CD2 :: 25.756 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.126 HA :: 5.089 HB2 :: 1.776 HB3 :: 0.816 HG :: 0.999 HD1 :: 1.641 HD2 :: 0.689 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.201 Ave N Shift Values>> N :: 121.98(4.07) T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.584 CA :: 62.340 CB :: 69.853 CG2 :: 22.032 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.801 HA :: 5.513 HB :: 3.989 HG2 :: 1.183 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.923 Ave N Shift Values>> N :: 115.7(5.05) F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.25 F 0.09 C Shift Assignments>> C :: 173.688 CA :: 56.552 CB :: 46.294 CD1 :: 131.976 CD2 :: 131.976 CE1 :: 131.766 CE2 :: 131.766 CZ :: 129.342 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 10.003 HA :: 5.618 HB2 :: 2.910 HB3 :: 2.871 HD1 :: 6.870 HD2 :: 6.870 HE1 :: 7.345 HE2 :: 7.345 HZ :: 6.830 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.160 Ave N Shift Values>> N :: 120.69(4.18) D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.97 C 0.01 C Shift Assignments>> CA :: 49.479 CB :: 45.502 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.216 HA :: 5.466 HB2 :: 2.951 HB3 :: 2.641 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.222 Ave N Shift Values>> N :: 120.73(4.2) P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 176.743 CA :: 63.700 CB :: 31.891 CG :: 27.206 CD :: 51.281 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.906 HB2 :: 2.204 HB3 :: 1.408 HG2 :: 2.208 HG3 :: 1.930 HD2 :: 4.360 HD3 :: 3.998 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 173.982 CA :: 46.163 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.111 HA2 :: 4.245 HA3 :: 3.596 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.779 Ave N Shift Values>> N :: 109.91(4.29) T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 175.825 CA :: 59.434 CB :: 70.101 CG2 :: 22.700 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.983 HA :: 4.660 HB :: 4.334 HG2 :: 1.223 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.036 Ave N Shift Values>> N :: 115.7(5.05) V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> V27 C Shift Assignments>> C :: 178.574 CA :: 65.059 CB :: 32.006 CG1 :: 21.676 CG2 :: 20.860 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.694 HA :: 3.889 HB :: 2.133 HG1 :: 1.080 HG2 :: 1.011 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.549 Ave N Shift Values>> N :: 121.02(4.96) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.2 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.365 CA :: 58.842 CB :: 29.450 CG :: 36.752 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.085 HA :: 4.157 HB2 :: 2.085 HB3 :: 2.044 HG2 :: 2.401 HG3 :: 2.330 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.038 Ave N Shift Values>> N :: 120.68(3.68) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.15 D 0.1 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> C :: 177.598 CA :: 56.284 CB :: 42.191 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.294 HA :: 4.816 HB2 :: 3.113 HB3 :: 2.582 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.845 Ave N Shift Values>> N :: 120.73(4.2) G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.663 CA :: 44.677 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.507 HA2 :: 4.313 HA3 :: 4.111 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.133 Ave N Shift Values>> N :: 109.91(4.29) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.3 R 0.09 A 0.04 G 0.01 C Shift Assignments>> C :: 175.664 CA :: 55.303 CB :: 42.160 CG :: 27.008 CD1 :: 22.730 CD2 :: 25.389 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.253 HA :: 4.514 HB2 :: 0.911 HB3 :: 0.680 HG :: 1.705 HD1 :: 0.864 HD2 :: 0.700 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.989 Ave N Shift Values>> N :: 121.98(4.07) L85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.42 A 0.28 C 0.2 L 0.06 R 0.01 C Shift Assignments>> C :: 175.210 CA :: 54.054 CB :: 45.665 CG :: 27.652 CD1 :: 26.314 CD2 :: 20.784 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.141 HA :: 4.862 HB2 :: 1.826 HB3 :: 1.626 HG :: 1.122 HD1 :: 0.681 HD2 :: -0.438(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.822 Ave N Shift Values>> N :: 121.98(4.07) T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 172.499 CA :: 61.731 CB :: 71.328 CG2 :: 22.660 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.072 HA :: 5.915 HB :: 3.769 HG2 :: 1.368 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.211 Ave N Shift Values>> N :: 115.7(5.05) V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.33 A 0.01 C Shift Assignments>> C :: 174.817 CA :: 58.249 CB :: 34.788 CG1 :: 20.950 CG2 :: 21.933 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.556 HA :: 5.636 HB :: 2.001 HG1 :: 0.945 HG2 :: 0.484 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.075 Ave N Shift Values>> N :: 121.02(4.96) E88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 M 0.17 E 0.13 HN Overlap>> E62 C Shift Assignments>> C :: 176.108 CA :: 54.331 CB :: 33.246 CG :: 37.228 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.695 HA :: 5.859(S) HB2 :: 1.571 HB3 :: 1.491 HG2 :: 1.968 HG3 :: 1.852 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.989 Ave N Shift Values>> N :: 120.68(3.68) C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 Q 0.19 C 0.19 K 0.17 H 0.05 R 0.04 W 0.04 E 0.04 V 0.01 C Shift Assignments>> C :: 172.497 CA :: 55.481 CB :: 33.572 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.124 HA :: 5.411 HB2 :: 3.420 HB3 :: 2.904 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.423 Ave N Shift Values>> N :: 119.95(4.79) K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.1 M 0.01 C Shift Assignments>> C :: 178.151 CA :: 56.312 CB :: 33.051 CG :: 25.511 CD :: 28.633 CE :: 41.201 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.396 HA :: 4.548 HB2 :: 2.193 HB3 :: 1.986 HG2 :: 1.821 HG3 :: 1.739 HD2 :: 1.863 HD3 :: 1.863 HE2 :: 3.112 HE3 :: 3.112 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.438 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.42 R 0.08 C Shift Assignments>> C :: 176.996 CA :: 58.514 CB :: 41.710 CG :: 27.473 CD1 :: 23.014 CD2 :: 24.887 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.299 HA :: 4.033 HB2 :: 1.528 HB3 :: 1.331 HG :: 1.734 HD1 :: 0.631 HD2 :: 0.587 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.265 Ave N Shift Values>> N :: 121.98(4.07) D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 C 0.12 N 0.09 K 0.08 R 0.07 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 177.842 CA :: 52.181 CB :: 42.122 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.683 HA :: 4.417 HB2 :: 2.726 HB3 :: 2.372 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 108.883 Ave N Shift Values>> N :: 120.73(4.2) H93 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.4 H 0.03 C Shift Assignments>> CA :: 56.745 CB :: 30.292 CD2 :: 128.942 CE1 :: 140.556(M) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.755 HA :: 4.115 HB2 :: 3.576 HB3 :: 3.315 HD1 :: 9.190 HD2 :: 7.388 HE1 :: 7.878 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.044 ND1 :: 165.700 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.48 C Shift Assignments>> C :: 176.680 CA :: 61.455 CB :: 32.242 CG :: 25.779 CD :: 49.416 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.215 HB2 :: 2.062 HB3 :: 1.700 HG2 :: 1.576 HG3 :: 0.954 HD2 :: 3.165 HD3 :: 2.707 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 G 0.32 C 0.24 C Shift Assignments>> C :: 172.750 CA :: 57.967 CB :: 44.227 CD1 :: 131.922 CD2 :: 131.922 CE1 :: 130.841 CE2 :: 130.841 CZ :: 129.355 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.352 HA :: 4.806 HB2 :: 2.978 HB3 :: 2.490 HD1 :: 7.230 HD2 :: 7.230 HE1 :: 7.305 HE2 :: 7.305 HZ :: 7.190 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.668 Ave N Shift Values>> N :: 120.69(4.18) Y96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 174.218 CA :: 58.379 CB :: 37.852 CD1 :: 131.946 CD2 :: 131.946 CE1 :: 118.608 CE2 :: 118.608 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 10.145 HA :: 3.426 HB2 :: 2.702 HB3 :: 0.810(S) HD1 :: 5.520 HD2 :: 5.520 HE1 :: 6.513 HE2 :: 6.513 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 129.024 Ave N Shift Values>> N :: 120.79(4.69) V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 176.345 CA :: 60.476 CB :: 32.862 CG1 :: 22.008 CG2 :: 22.815 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.558 HA :: 4.681 HB :: 1.796 HG1 :: 0.964 HG2 :: 0.877 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.912 Ave N Shift Values>> N :: 121.02(4.96) K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.37 R 0.21 M 0.02 C Shift Assignments>> C :: 176.480 CA :: 58.247 CB :: 33.394 CG :: 25.243 CD :: 29.793 CE :: 42.013 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.855 HA :: 3.819 HB2 :: 1.887 HB3 :: 1.450 HG2 :: 1.412 HG3 :: 1.364 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.985 HE3 :: 2.985 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.653 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Y 0.16 E 0.16 N 0.15 F 0.09 M 0.04 D 0.04 I 0.02 K 0.01 C Shift Assignments>> C :: 173.341 CA :: 55.481 CB :: 37.382 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.285 HA :: 4.324 HB2 :: 3.149 HB3 :: 3.087 HD21 :: 7.659 HD22 :: 7.052 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.404 ND2 :: 112.692 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.35 R 0.15 M 0.02 C Shift Assignments>> C :: 175.324 CA :: 58.068 CB :: 35.307 CG :: 24.708 CD :: 29.882 CE :: 41.656 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.852 HA :: 4.325 HB2 :: 1.462 HB3 :: 1.349 HG2 :: 1.331 HG3 :: 1.071 HD2 :: 1.560 HD3 :: 1.560 HE2 :: 2.855 HE3 :: 2.855 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.597 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.27 K 0.21 D 0.11 R 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 175.012 CA :: 42.141 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.744 HA2 :: 4.154 HA3 :: 2.222(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.481 Ave N Shift Values>> N :: 109.91(4.29) W102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.4 H 0.03 C Shift Assignments>> C :: 177.492 CA :: 59.476 CB :: 29.791 CD1 :: 127.075 CE3 :: 119.682 CZ2 :: 113.942 CZ3 :: 121.175 CH2 :: 124.795 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.351 HA :: 4.641 HB2 :: 3.332 HB3 :: 3.125 HD1 :: 7.396 HE1 :: 10.254 HE3 :: 7.244 HZ2 :: 7.001 HZ3 :: 6.455 HH2 :: 6.477 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.008 NE1 :: 127.710 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 S 0.29 C Shift Assignments>> C :: 171.748 CA :: 57.951 CB :: 67.511 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.072 HA :: 5.643 HB2 :: 3.427 HB3 :: 3.301 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.958 Ave N Shift Values>> N :: 116.3(3.95) S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.106 CA :: 56.311 CB :: 65.704 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.704 HA :: 4.910 HB2 :: 4.503 HB3 :: 3.330 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.846 Ave N Shift Values>> N :: 116.3(3.95) F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 175.982 CA :: 61.665 CB :: 39.553 CD1 :: 132.444 CD2 :: 132.444 CE1 :: 130.707 CE2 :: 130.707 CZ :: 129.424 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 10.252 HA :: 4.116 HB2 :: 3.122 HB3 :: 2.861 HD1 :: 7.396 HD2 :: 7.396 HE1 :: 6.571 HE2 :: 6.571 HZ :: 6.711 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.303 Ave N Shift Values>> N :: 120.69(4.18) Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> CA :: 56.174 CB :: 40.637 CD1 :: 133.727 CD2 :: 133.727 CE1 :: 118.202 CE2 :: 118.202 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.520 HA :: 4.764 HB2 :: 3.070 HB3 :: 2.713 HD1 :: 7.307 HD2 :: 7.307 HE1 :: 6.868 HE2 :: 6.868 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.669 Ave N Shift Values>> N :: 120.79(4.69) P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.15 G 0.03 C Shift Assignments>> C :: 178.738 CA :: 66.544 CB :: 32.287 CG :: 27.083 CD :: 49.026 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.022 HB2 :: 2.487 HB3 :: 2.021 HG2 :: 2.032 HG3 :: 1.645 HD2 :: 3.711 HD3 :: 3.412 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.284 CA :: 61.499 CB :: 62.195 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.709 HA :: 4.293 HB2 :: 3.995 HB3 :: 3.995 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.847 Ave N Shift Values>> N :: 116.3(3.95) L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.35 R 0.08 G 0.01 A 0.01 C Shift Assignments>> C :: 179.627 CA :: 56.659 CB :: 42.135 CG :: 27.446 CD1 :: 22.923 CD2 :: 24.630 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.602 HA :: 4.458 HB2 :: 1.969 HB3 :: 1.793 HG :: 1.737 HD1 :: 0.842 HD2 :: 0.791 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.893 Ave N Shift Values>> N :: 121.98(4.07) T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 176.406 CA :: 68.056 CB :: 68.795 CG2 :: 24.363 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.528 HA :: 4.011 HB :: 4.120 HG2 :: 1.450 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.965 Ave N Shift Values>> N :: 115.7(5.05) V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.302 CA :: 65.663 CB :: 31.193 CG1 :: 20.338 CG2 :: 22.300 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.195 HA :: 3.758 HB :: 2.195 HG1 :: 1.023 HG2 :: 0.875 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.130 Ave N Shift Values>> N :: 121.02(4.96) V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.314 CA :: 65.471 CB :: 32.537 CG1 :: 22.655 CG2 :: 21.366 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.742 HA :: 3.786 HB :: 2.122 HG1 :: 1.127 HG2 :: 0.964 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.159 Ave N Shift Values>> N :: 121.02(4.96) Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 K 0.19 M 0.13 E 0.12 R 0.03 C Shift Assignments>> C :: 176.972 CA :: 57.530 CB :: 30.115 CG :: 33.621 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.883 HA :: 3.989 HB2 :: 1.819 HB3 :: 1.481 HG2 :: 2.181 HG3 :: 1.821 HE21 :: 7.406 HE22 :: 6.726 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.640 NE2 :: 112.109 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 H 0.29 W 0.18 C Shift Assignments>> C :: 176.406 CA :: 55.964 CB :: 33.157 CD2 :: 118.297 CE1 :: 139.266 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.369 HA :: 4.737 HB2 :: 2.967 HB3 :: 2.675 HD2 :: 6.976 HE1 :: 7.608 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 112.063 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 173.353 CA :: 46.301 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.469 HA2 :: 3.980 HA3 :: 3.980 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.824 Ave N Shift Values>> N :: 109.91(4.29) I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.41 A 0.05 C Shift Assignments>> CA :: 57.612 CB :: 41.480 CG1 :: 25.782 CG2 :: 17.109 CD1 :: 12.599 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.128 HA :: 4.368 HB :: 0.969 HG2 :: 0.215 HG12 :: 1.100 HG13 :: 0.356 HD1 :: -0.255 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.490 Ave N Shift Values>> N :: 121.6(4.72) P117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.702 CA :: 62.439 CB :: 31.577 CG :: 27.355 CD :: 50.665 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.482 HB2 :: 2.253 HB3 :: 1.966 HG2 :: 2.209 HG3 :: 1.940 HD2 :: 3.975 HD3 :: 3.675 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) C118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.15 M 0.12 W 0.1 R 0.09 Q 0.08 V 0.08 E 0.07 H 0.06 I 0.01 HN Overlap>> A31 C Shift Assignments>> C :: 174.598 CA :: 58.392 CB :: 32.558 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.441 HA :: 5.045 HB2 :: 2.837 HB3 :: 2.646 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.033 Ave N Shift Values>> N :: 119.95(4.79) C119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.14 H 0.13 E 0.12 W 0.12 C 0.11 R 0.1 M 0.03 I 0.02 L 0.02 C Shift Assignments>> C :: 173.555 CA :: 56.918 CB :: 29.157 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.596 HA :: 4.765 HB2 :: 2.995 HB3 :: 2.939 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.995 Ave N Shift Values>> N :: 119.95(4.79) E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.1 K 0.06 I 0.05 Q 0.03 C Shift Assignments>> C :: 175.910 CA :: 56.541 CB :: 30.383 CG :: 36.497 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.486 HA :: 4.563 HB2 :: 1.847 HB3 :: 1.847 HG2 :: 2.212 HG3 :: 2.212 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.491 Ave N Shift Values>> N :: 120.68(3.68) I121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> C :: 171.284 CA :: 60.476 CB :: 39.961 CG1 :: 29.703 CG2 :: 15.164 CD1 :: 13.380 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.082 HA :: 3.824 HB :: 0.729(S) HG2 :: 0.292 HG12 :: 1.663 HG13 :: 0.621 HD1 :: -0.729(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.584 Ave N Shift Values>> N :: 121.6(4.72) H122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 H 0.31 W 0.24 C Shift Assignments>> C :: 174.231 CA :: 54.203 CB :: 33.539 CD2 :: 119.749 CE1 :: 137.008 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.372 HA :: 4.842 HB2 :: 3.134 HB3 :: 2.753 HD2 :: 7.101 HE1 :: 8.244 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.808 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.139 CA :: 63.287 CB :: 36.587 CG1 :: 28.544 CG2 :: 18.019 CD1 :: 11.596 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.545 HA :: 3.444 HB :: 1.851 HG2 :: 0.975 HG12 :: 1.697 HG13 :: 1.332 HD1 :: 0.912 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.019 Ave N Shift Values>> N :: 121.6(4.72) G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.682 CA :: 44.778 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.133 HA2 :: 4.545 HA3 :: 3.434 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.857 Ave N Shift Values>> N :: 109.91(4.29) D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.19 K 0.16 C 0.11 F 0.1 Y 0.09 N 0.05 R 0.04 C Shift Assignments>> C :: 175.204 CA :: 55.303 CB :: 41.261 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.031 HA :: 4.508 HB2 :: 2.799 HB3 :: 2.528 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.764 Ave N Shift Values>> N :: 120.73(4.2) V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.108 CA :: 62.509 CB :: 32.034 CG1 :: 21.625 CG2 :: 20.946 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.519 HA :: 4.320 HB :: 2.030 HG1 :: 0.970 HG2 :: 0.758 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.124 Ave N Shift Values>> N :: 121.02(4.96) C127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 K 0.12 C 0.12 Q 0.11 W 0.11 I 0.1 E 0.08 H 0.08 L 0.06 C Shift Assignments>> C :: 175.469 CA :: 58.429 CB :: 27.868 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.218 HA :: 4.745 HB2 :: 2.955 HB3 :: 2.955 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 127.448 Ave N Shift Values>> N :: 119.95(4.79) L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.17 C 0.14 G 0.03 R 0.01 C Shift Assignments>> CA :: 52.148 CB :: 42.348 CG :: 26.129 CD1 :: 25.522 CD2 :: 20.318 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.249 HA :: 4.477 HB2 :: 1.600 HB3 :: 1.063 HG :: 1.660 HD1 :: 0.551 HD2 :: -0.032 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.630 Ave N Shift Values>> N :: 121.98(4.07) P129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.84 P 0.14 C Shift Assignments>> CA :: 60.586 CB :: 28.621 CG :: 26.201 CD :: 49.438 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.053 HB2 :: 1.491 HB3 :: -0.121(S) HG2 :: 1.844 HG3 :: 1.844 HD2 :: 3.375 HD3 :: 3.232 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) P130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 178.063 CA :: 62.833 CB :: 30.834 CG :: 27.295 CD :: 49.684 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.431 HB2 :: 1.492 HB3 :: 1.492 HG2 :: 1.782 HG3 :: 1.635 HD2 :: 2.870 HD3 :: 2.870 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.964 CA :: 44.766 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.950 HA2 :: 3.931 HA3 :: 3.548 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.644 Ave N Shift Values>> N :: 109.91(4.29) H132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 H 0.32 W 0.23 C Shift Assignments>> CA :: 56.571 CB :: 32.287 CD2 :: 118.390 CE1 :: 139.520 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.345 HA :: 4.417 HB2 :: 2.997 HB3 :: 2.720 HD2 :: 7.523 HE1 :: 8.085 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.207 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 177.654 CA :: 65.080 CB :: 32.183 CG :: 27.563 CD :: 50.040 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.191 HB2 :: 2.234 HB3 :: 1.781 HG2 :: 1.780 HG3 :: 1.674 HD2 :: 3.432 HD3 :: 1.983(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) D134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.24 L 0.2 K 0.15 C 0.1 F 0.09 Y 0.07 N 0.06 R 0.04 C Shift Assignments>> C :: 176.017 CA :: 54.750 CB :: 41.351 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 11.012(S) HA :: 4.909 HB2 :: 2.916 HB3 :: 2.752 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.021 Ave N Shift Values>> N :: 120.73(4.2) A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 176.070 CA :: 50.339 CB :: 18.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.168 HA :: 4.088 HB :: 0.878 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.894 Ave N Shift Values>> N :: 123.23(3.7) I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.127 CA :: 61.665 CB :: 38.445 CG1 :: 27.384 CG2 :: 17.531 CD1 :: 12.934 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.790 HA :: 3.951 HB :: 1.816 HG2 :: 0.872 HG12 :: 1.432 HG13 :: 1.128 HD1 :: 0.869 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.572 Ave N Shift Values>> N :: 121.6(4.72) N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.17 D 0.15 Y 0.08 F 0.06 L 0.02 E 0.02 M 0.01 C Shift Assignments>> C :: 173.438 CA :: 53.341 CB :: 38.423 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.420 HA :: 4.725 HB2 :: 3.078 HB3 :: 2.871 HD21 :: 7.594 HD22 :: 6.932 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.919 ND2 :: 112.975 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> CA :: 59.271 CB :: 40.613 CD1 :: 131.658 CD2 :: 131.658 CE1 :: 131.436 CE2 :: 131.436 CZ :: 129.107 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.397 HA :: 4.537 HB2 :: 2.827 HB3 :: 2.645 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 7.301 HE2 :: 7.301 HZ :: 7.197 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.003 Ave N Shift Values>> N :: 120.69(4.18) ########################################################################### Overall Results: #Consistent: 126 #Clerical: 0 #Suspicious: 11 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 138 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 138 #Suspicious: 0 C Shift Results: #Consistent: 617 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 809 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 142 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: H6 HB3 = 0.857(S), Expected = 3.11, Std = 0.4500, ChiSquare = 5.5381e-07 L9 H = 11.088(S), Expected = 8.22, Std = 0.6500, ChiSquare = 1.0227e-05 C15 HB3 = 0.985(S), Expected = 2.98, Std = 0.4500, ChiSquare = 9.2787e-06 L85 HD2 = -0.438(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.8810e-05 E88 HA = 5.859(S), Expected = 4.26, Std = 0.4300, ChiSquare = 2.0033e-04 H93 CE1 = 140.556(M), Expected = 136.05, Std = 3.5800, ChiSquare = 2.0815e-01 Y96 HB3 = 0.810(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.3814e-08 G101 HA3 = 2.222(S), Expected = 3.93, Std = 0.4000, ChiSquare = 1.9547e-05 I121 HB = 0.729(S), Expected = 1.80, Std = 0.3100, ChiSquare = 5.5062e-04 I121 HD1 = -0.729(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.9042e-06 P129 HB3 = -0.121(S), Expected = 2.05, Std = 0.3900, ChiSquare = 2.5966e-08 P133 HD3 = 1.983(S), Expected = 3.63, Std = 0.4000, ChiSquare = 3.8300e-05 D134 H = 11.012(S), Expected = 8.33, Std = 0.5700, ChiSquare = 2.5354e-06