M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.41 C 0.4 A 0.16 I 0.01 C Shift Assignments>> C :: 172.160 CA :: 55.730 CB :: 35.150 CG :: 31.612 CE :: 17.500 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>> HA :: 3.980 HB2 :: 1.869 HB3 :: 1.926 HG2 :: 2.521 HG3 :: 2.474 HE :: 1.648 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) K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.35 R 0.18 M 0.02 G 0.01 C Shift Assignments>> C :: 175.856 CA :: 54.480 CB :: 34.635 CG :: 24.979 CD :: 29.334 CE :: 42.149 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 :: 8.234 HA :: 4.484 HB2 :: 1.611 HB3 :: 1.877 HG2 :: 1.445 HD2 :: 1.687 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 :: 122.854 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.37 R 0.05 A 0.01 C Shift Assignments>> C :: 177.997 CA :: 57.220 CB :: 41.410 CG :: 27.197 CD1 :: 25.085 CD2 :: 22.415 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 :: 8.373 HA :: 3.757 HB2 :: 1.400 HB3 :: 1.780 HG :: 1.818 HD1 :: 0.991 HD2 :: 0.777 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 :: 119.801 Ave N Shift Values>> N :: 121.98(4.07) R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 L 0.23 K 0.23 R 0.13 G 0.04 C Shift Assignments>> C :: 174.680 CA :: 58.200 CB :: 26.730 CG :: 28.000 CD :: 42.833 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 :: 9.282 HA :: 3.670 HB2 :: 2.280 HB3 :: 2.060 HG2 :: 1.647 HG3 :: 1.478 HD2 :: 3.161 HD3 :: 3.211 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 :: 114.375 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.2 E 0.12 M 0.11 R 0.02 C Shift Assignments>> C :: 176.793 CA :: 54.800 CB :: 29.720 CG :: 34.103 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 :: 7.745 HA :: 4.515 HB2 :: 2.050 HB3 :: 2.250 HG2 :: 2.488 HE21 :: 7.161 HE22 :: 7.717 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 :: 121.524 NE2 :: 113.951 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 177.028 CA :: 62.000 CB :: 32.377 CG :: 27.290 CD :: 50.730 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 :: 4.822 HB2 :: 1.690 HB3 :: 2.219 HG2 :: 1.919 HG3 :: 1.919 HD2 :: 3.610 HD3 :: 3.838 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) M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 A 0.08 M 0.07 I 0.04 C Shift Assignments>> C :: 174.541 CA :: 54.770 CB :: 35.010 CG :: 28.259 CE :: 14.976 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 :: 8.570 HA :: 3.658 HB2 :: 1.640 HB3 :: 1.483 HG2 :: 1.269 HG3 :: 2.625 HE :: 1.370 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 :: 122.343 Ave N Shift Values>> N :: 120.1(3.88) P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 174.166 CA :: 62.480 CB :: 32.200 CG :: 26.979 CD :: 50.982 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 :: 4.365 HB2 :: 2.218 HB3 :: 1.661 HG2 :: 1.424 HG3 :: 1.145 HD2 :: 2.695 HD3 :: 3.416 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) E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.08 I 0.08 M 0.07 Q 0.04 C Shift Assignments>> C :: 176.754 CA :: 57.480 CB :: 30.000 CG :: 36.290 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 :: 7.970 HA :: 3.867 HB2 :: 1.965 HB3 :: 1.852 HG2 :: 2.254 HG3 :: 2.337 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 :: 116.299 Ave N Shift Values>> N :: 120.68(3.68) L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 A 0.04 C Shift Assignments>> C :: 175.443 CA :: 53.230 CB :: 39.980 CG :: 27.230 CD1 :: 26.425 CD2 :: 23.651 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 :: 8.500 HA :: 4.495 HB2 :: 1.560 HB3 :: 2.105 HG :: 1.644 HD1 :: 0.856 HD2 :: 0.633 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 :: 125.671 Ave N Shift Values>> N :: 121.98(4.07) T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 HN Overlap>> Q50 C Shift Assignments>> C :: 173.513 CA :: 60.005 CB :: 70.731 CG2 :: 20.626 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 :: 7.336 HA :: 4.989 HB :: 4.179 HG2 :: 1.154 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 :: 116.049 Ave N Shift Values>> N :: 115.7(5.05) G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.335 CA :: 45.129 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.600 HA2 :: 4.173 HA3 :: 3.729 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.871 Ave N Shift Values>> N :: 109.91(4.29) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 K 0.09 M 0.06 I 0.05 Q 0.03 C Shift Assignments>> C :: 176.818 CA :: 56.312 CB :: 29.767 CG :: 36.500 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 :: 7.807 HA :: 4.110 HB2 :: 1.970 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 :: 121.168 Ave N Shift Values>> N :: 120.68(3.68) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.33 R 0.2 M 0.04 G 0.01 C Shift Assignments>> CA :: 55.356 CB :: 32.480 CG :: 24.600 CD :: 29.068 CE :: 42.178 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 :: 8.316 HA :: 4.420 HB2 :: 1.660 HB3 :: 1.860 HG2 :: 1.510 HE2 :: 3.002 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 :: 120.749 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.15 L 0.14 C 0.08 C Shift Assignments>> CA :: 51.730 CB :: 21.522 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.196 HA :: 4.367 HB :: 1.138 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.936 Ave N Shift Values>> N :: 123.23(3.7) W16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 C 0.14 K 0.13 R 0.13 W 0.11 H 0.11 E 0.1 Q 0.06 V 0.02 C Shift Assignments>> C :: 177.348 CA :: 56.730 CB :: 31.730 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 :: 8.433 HA :: 5.439 HB2 :: 3.392 HB3 :: 2.813 HD1 :: 7.125 HE1 :: 9.913 HE3 :: 7.705 HZ2 :: 7.729 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 :: 120.280 NE1 :: 129.422 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.21 C 0.17 A 0.05 R 0.05 C Shift Assignments>> C :: 177.348 CA :: 53.360 CB :: 43.980 CG :: 27.064 CD1 :: 25.479 CD2 :: 22.946 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 :: 9.545 HA :: 4.840 HB2 :: 1.780 HB3 :: 1.546 HG :: 1.552 HD1 :: 0.765 HD2 :: 0.906 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 :: 122.862 Ave N Shift Values>> N :: 121.98(4.07) N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.19 N 0.16 Y 0.11 M 0.08 F 0.05 K 0.03 D 0.02 I 0.01 C Shift Assignments>> C :: 174.780 CA :: 54.980 CB :: 36.729 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 :: 8.957 HA :: 4.246 HB2 :: 3.480 HB3 :: 2.807 HD21 :: 7.590 HD22 :: 6.404 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 :: 114.890 ND2 :: 115.128 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.21 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.623 CA :: 44.480 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.145 HA2 :: 4.116 HA3 :: 3.500 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.477 Ave N Shift Values>> N :: 109.91(4.29) E20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 M 0.24 E 0.22 Q 0.15 K 0.07 C Shift Assignments>> C :: 175.429 CA :: 54.980 CB :: 30.980 CG :: 35.011 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 :: 7.395 HA :: 2.758(S) HB2 :: 1.133(S) HB3 :: 1.070(S) HG2 :: 1.633 HG3 :: 1.491(S) 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 :: 116.299 Ave N Shift Values>> N :: 120.68(3.68) V21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.61 V 0.37 C Shift Assignments>> CA :: 59.341 CB :: 35.432 CG1 :: 21.618 CG2 :: 20.820 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 :: 4.897(S) HA :: 4.477 HB :: 1.645 HG1 :: 0.719 HG2 :: 0.664 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) T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.31 A 0.01 C Shift Assignments>> C :: 174.996 CA :: 59.050 CB :: 71.981 CG2 :: 21.689 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 :: 7.500 HA :: 4.778 HB :: 4.607 HG2 :: 1.180 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 :: 111.650 Ave N Shift Values>> N :: 115.7(5.05) R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.11 K 0.05 C Shift Assignments>> C :: 177.658 CA :: 60.135 CB :: 30.510 CG :: 27.158 CD :: 43.455 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 :: 9.265 HA :: 3.851 HB2 :: 1.796 HG2 :: 1.703 HG3 :: 1.469 HD2 :: 3.185 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 :: 122.545 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.34 E 0.27 K 0.03 C Shift Assignments>> C :: 178.515 CA :: 59.730 CB :: 29.229 CG :: 37.230 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 :: 8.330 HA :: 3.905 HB2 :: 2.029 HB3 :: 1.950 HG2 :: 2.374 HG3 :: 2.249 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 :: 115.819 Ave N Shift Values>> N :: 120.68(3.68) Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.21 E 0.16 M 0.07 R 0.03 I 0.01 C Shift Assignments>> C :: 177.516 CA :: 57.230 CB :: 29.480 CG :: 34.103 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 :: 7.475 HA :: 4.155 HB2 :: 2.231 HB3 :: 2.022 HG2 :: 2.347 HG3 :: 2.405 HE21 :: 6.813 HE22 :: 7.425 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 :: 116.670 NE2 :: 111.607 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.33 R 0.13 A 0.11 G 0.02 HN Overlap>> R142 C Shift Assignments>> C :: 178.729 CA :: 55.490 CB :: 42.230 CG :: 25.979 CD1 :: 21.980 CD2 :: 26.729 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 :: 7.650 HA :: 4.156 HB2 :: 1.719 HG :: 1.787 HD1 :: 0.667 HD2 :: 0.738 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 :: 120.005 Ave N Shift Values>> N :: 121.98(4.07) I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.496 CA :: 60.730 CB :: 39.980 CG1 :: 27.000 CG2 :: 16.990 CD1 :: 13.479 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 :: 7.298 HA :: 4.294 HB :: 1.703 HG2 :: 0.806 HG12 :: 1.057 HG13 :: 1.420 HD1 :: 0.718 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 :: 118.820 Ave N Shift Values>> N :: 121.6(4.72) G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.756 CA :: 45.730 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.777 HA2 :: 4.582 HA3 :: 3.508 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.805 Ave N Shift Values>> N :: 109.91(4.29) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 E 0.19 M 0.16 I 0.01 C Shift Assignments>> C :: 175.405 CA :: 57.880 CB :: 33.480 CG :: 36.480 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 :: 8.800 HA :: 4.556 HB2 :: 1.890 HB3 :: 2.062 HG2 :: 2.294 HG3 :: 2.177 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 :: 120.986 Ave N Shift Values>> N :: 120.68(3.68) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.17 M 0.02 G 0.01 C Shift Assignments>> C :: 172.859 CA :: 53.900 CB :: 35.230 CG :: 24.673 CD :: 29.527 CE :: 42.137 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 :: 9.420 HA :: 4.900 HB2 :: 1.653 HB3 :: 1.925 HG2 :: 1.329 HD2 :: 1.345 HD3 :: 1.417 HE2 :: 3.022 HE3 :: 2.927 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 :: 122.626 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 174.692 CA :: 62.481 CB :: 33.440 CG :: 27.546 CD :: 50.308 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 :: 4.464 HB2 :: 2.483 HB3 :: 1.915 HG2 :: 1.897 HD2 :: 3.818 HD3 :: 4.248 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) T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.25 C Shift Assignments>> C :: 172.842 CA :: 62.231 CB :: 72.890 CG2 :: 22.480 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 :: 8.600 HA :: 5.251 HB :: 3.851 HG1 :: 6.156 HG2 :: 1.175 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 :: 114.418 Ave N Shift Values>> N :: 115.7(5.05) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.2 L 0.19 R 0.05 C Shift Assignments>> C :: 174.336 CA :: 53.480 CB :: 45.230 CG :: 28.392 CD1 :: 26.001 CD2 :: 24.938 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 :: 9.581 HA :: 5.625 HB2 :: 1.337 HB3 :: 2.251 HG :: 1.786 HD1 :: 0.935 HD2 :: 1.083 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 :: 130.111 Ave N Shift Values>> N :: 121.98(4.07) I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.429 CA :: 60.138 CB :: 39.730 CG1 :: 28.923 CG2 :: 17.500 CD1 :: 12.500 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 :: 9.785 HA :: 5.642 HB :: 2.127 HG2 :: 0.500 HG12 :: 1.905 HG13 :: 1.145 HD1 :: 0.850 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 :: 128.840 Ave N Shift Values>> N :: 121.6(4.72) H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.21 K 0.1 H 0.1 P 0.08 R 0.08 W 0.06 Q 0.05 E 0.02 C Shift Assignments>> C :: 172.905 CA :: 52.434 CB :: 32.377 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 :: 9.030 HA :: 6.248 HB2 :: 3.502 HB3 :: 2.986 HD2 :: 6.742 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 :: 125.521 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 R 0.2 K 0.18 C 0.1 F 0.09 D 0.08 Y 0.06 G 0.01 C Shift Assignments>> C :: 175.485 CA :: 56.480 CB :: 42.510 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 :: 9.544 HA :: 5.545 HB2 :: 2.683 HB3 :: 3.100 HD1 :: 6.876 HE1 :: 6.733 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 :: 124.802 Ave N Shift Values>> N :: 120.69(4.18) W37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.15 H 0.14 C 0.14 R 0.14 W 0.11 K 0.1 E 0.09 Q 0.08 C Shift Assignments>> C :: 172.825 CA :: 55.230 CB :: 31.230 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 :: 9.466 HA :: 5.063 HB2 :: 2.871 HB3 :: 3.775 HD1 :: 6.935 HE1 :: 7.444(S) HZ2 :: 7.123 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 :: 122.159 NE1 :: 122.393 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 176.888 CA :: 56.730 CB :: 66.230 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.659 HA :: 4.092 HB2 :: 3.624 HB3 :: 3.415 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 :: 111.143 Ave N Shift Values>> N :: 116.3(3.95) I39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.87 C 0.11 C Shift Assignments>> C :: 180.613 CA :: 65.980 CB :: 38.730 CG1 :: 25.729 CG2 :: 19.979 CD1 :: 15.047 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 :: 10.904(S) HA :: 4.119 HB :: 2.147 HG2 :: 1.076 HG12 :: 1.308 HG13 :: 1.548 HD1 :: 0.803 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 :: 126.143 Ave N Shift Values>> N :: 121.6(4.72) S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.366 CA :: 57.110 CB :: 62.230 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.454 HA :: 4.608 HB2 :: 4.113 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 :: 112.784 Ave N Shift Values>> N :: 116.3(3.95) C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.18 V 0.17 W 0.13 R 0.09 K 0.08 E 0.08 M 0.06 H 0.05 I 0.04 P 0.03 Q 0.03 C Shift Assignments>> C :: 176.818 CA :: 60.000 CB :: 31.846 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.698 HB2 :: 2.571 HB3 :: 3.082 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) H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.17 C 0.16 W 0.14 I 0.13 P 0.09 E 0.08 R 0.07 H 0.04 K 0.03 Q 0.03 M 0.02 C Shift Assignments>> C :: 177.600 CA :: 60.980 CB :: 30.730 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 :: 4.360 HB2 :: 3.305 HB3 :: 3.182 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) L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.6 C 0.36 R 0.01 C Shift Assignments>> C :: 181.408 CA :: 57.480 CB :: 41.730 CG :: 26.850 CD1 :: 23.479 CD2 :: 23.480 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 :: 8.172 HA :: 4.050 HB2 :: 1.780 HB3 :: 1.483 HG :: 1.387 HD1 :: 0.840 HD2 :: 0.958 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) C44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.52 P 0.29 C 0.11 I 0.03 W 0.01 C Shift Assignments>> C :: 177.571 CA :: 63.857 CB :: 33.729 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.568 HA :: 4.386 HB2 :: 4.401(S) HB3 :: 2.894 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 :: 113.018 Ave N Shift Values>> N :: 119.95(4.79) K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.37 R 0.17 M 0.01 G 0.01 C Shift Assignments>> C :: 178.570 CA :: 60.230 CB :: 32.244 CG :: 24.862 CD :: 29.125 CE :: 42.061 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 :: 7.429 HA :: 3.536 HB2 :: 1.947 HG2 :: 1.551 HD2 :: 1.687 HD3 :: 1.742 HE2 :: 2.927 HE3 :: 2.995 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 :: 120.986 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.17 K 0.05 M 0.04 Q 0.02 HN Overlap>> D74 C Shift Assignments>> C :: 178.114 CA :: 59.200 CB :: 29.980 CG :: 36.480 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 :: 8.164 HA :: 3.990 HB2 :: 2.063 HB3 :: 1.984 HG2 :: 2.262 HG3 :: 2.147 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 :: 120.283 Ave N Shift Values>> N :: 120.68(3.68) A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.17 C 0.03 L 0.02 C Shift Assignments>> C :: 176.818 CA :: 52.230 CB :: 19.979 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.180 HA :: 4.562 HB :: 1.542 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.471 Ave N Shift Values>> N :: 123.23(3.7) M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.14 I 0.02 C Shift Assignments>> C :: 175.452 CA :: 57.230 CB :: 27.729 CG :: 32.553 CE :: 14.479 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 :: 7.268 HA :: 4.413 HB2 :: 2.357 HB3 :: 2.230 HG2 :: 2.436 HG3 :: 2.530 HE :: 1.416 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 :: 121.221 Ave N Shift Values>> N :: 120.1(3.88) P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.36 C Shift Assignments>> C :: 179.975 CA :: 66.481 CB :: 31.000 CG :: 28.513 CD :: 50.786 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 :: 4.218 HB2 :: 2.350 HB3 :: 1.771 HG2 :: 2.006 HG3 :: 2.170 HD2 :: 3.586 HD3 :: 3.818 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) Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.13 K 0.12 Q 0.07 M 0.02 HN Overlap>> T11 C Shift Assignments>> C :: 178.580 CA :: 58.980 CB :: 29.230 CG :: 35.730 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 :: 7.390 HA :: 3.962 HB2 :: 2.189 HB3 :: 1.797 HG2 :: 2.225 HG3 :: 2.188 HE21 :: 7.415 HE22 :: 6.807 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 :: 116.065 NE2 :: 113.482 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.939 CA :: 66.647 CB :: 30.980 CG1 :: 19.797 CG2 :: 23.547 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 :: 7.462 HA :: 3.198 HB :: 1.997 HG1 :: 0.118 HG2 :: 0.840 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 :: 122.862 Ave N Shift Values>> N :: 121.02(4.96) N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.18 N 0.16 Y 0.13 F 0.07 M 0.06 D 0.03 K 0.02 I 0.02 C Shift Assignments>> C :: 177.519 CA :: 55.230 CB :: 37.000 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 :: 8.541 HA :: 4.187 HB2 :: 2.733 HD21 :: 7.080 HD22 :: 5.572 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 :: 119.581 ND2 :: 107.159 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.21 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> CA :: 59.230 CB :: 29.230 CG :: 36.479 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 :: 7.598 HA :: 4.093 HB2 :: 2.048 HB3 :: 1.920 HG2 :: 2.104 HG3 :: 2.370 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 :: 121.924 Ave N Shift Values>> N :: 120.68(3.68) F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 C 0.23 Y 0.22 F 0.16 E 0.1 M 0.01 C Shift Assignments>> CA :: 59.730 CB :: 37.730 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 :: 7.571 HA :: 4.389 HB2 :: 3.341 HB3 :: 3.104 HD1 :: 7.061 HE1 :: 6.979 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 :: 120.284 Ave N Shift Values>> N :: 120.69(4.18) R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.38 G 0.12 K 0.08 L 0.01 HN Overlap>> E137 C Shift Assignments>> C :: 178.018 CA :: 58.500 CB :: 30.330 CG :: 25.795 CD :: 43.754 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 :: 8.118 HA :: 3.899 HB2 :: 2.627 HB3 :: 1.636 HG2 :: 2.068 HG3 :: 1.688 HE :: 6.847 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 :: 119.112 NE :: 114.659 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.21 C 0.17 D 0.13 L 0.09 N 0.04 I 0.04 K 0.04 C Shift Assignments>> C :: 179.051 CA :: 56.735 CB :: 39.948 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 :: 7.981 HA :: 4.538 HB2 :: 2.630 HB3 :: 2.702 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 :: 117.237 Ave N Shift Values>> N :: 120.73(4.2) K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.39 R 0.16 M 0.03 G 0.01 C Shift Assignments>> C :: 178.249 CA :: 59.076 CB :: 32.642 CG :: 24.673 CD :: 29.924 CE :: 42.144 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 :: 8.744 HA :: 3.930 HB2 :: 1.654 HB3 :: 1.327 HG2 :: 0.990 HG3 :: 0.675 HD2 :: 1.368 HD3 :: 1.435 HE2 :: 2.726 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 :: 123.077 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.21 F 0.15 E 0.11 N 0.1 D 0.06 I 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 176.784 CA :: 56.230 CB :: 38.000 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 :: 7.602 HA :: 4.985 HB2 :: 3.212 HB3 :: 2.692 HD1 :: 6.936 HE1 :: 6.579 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 :: 115.429 Ave N Shift Values>> N :: 120.79(4.69) Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.24 Q 0.22 E 0.08 R 0.07 M 0.03 I 0.02 C Shift Assignments>> C :: 176.567 CA :: 59.208 CB :: 28.791 CG :: 33.480 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 :: 7.155 HA :: 4.390 HB2 :: 2.236 HB3 :: 2.389 HG2 :: 2.416 HG3 :: 2.484 HE21 :: 6.822 HE22 :: 7.668 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 :: 122.200 NE2 :: 112.545 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 L 0.16 F 0.15 C 0.13 Y 0.13 K 0.12 N 0.05 R 0.02 I 0.01 C Shift Assignments>> C :: 176.501 CA :: 55.887 CB :: 40.745 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 :: 8.792 HA :: 4.642 HB2 :: 2.777 HB3 :: 2.825 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 :: 117.940 Ave N Shift Values>> N :: 120.73(4.2) Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.33 E 0.13 Q 0.07 C Shift Assignments>> C :: 173.708 CA :: 56.552 CB :: 33.174 CG :: 34.728 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 :: 8.118 HA :: 4.518 HB2 :: 1.915 HB3 :: 2.333 HG2 :: 2.276 HG3 :: 2.374 HE21 :: 7.720 HE22 :: 6.835 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 :: 117.257 NE2 :: 112.310 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.13 G 0.13 L 0.05 HN Overlap>> Q127 C Shift Assignments>> C :: 175.903 CA :: 53.720 CB :: 47.980 CG :: 26.400 CD1 :: 23.230 CD2 :: 26.798 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 :: 7.788 HA :: 4.706 HB2 :: 1.915 HB3 :: 1.103 HG :: 1.580 HD1 :: 0.758 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 :: 120.284 Ave N Shift Values>> N :: 121.98(4.07) N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.28 C 0.12 L 0.1 F 0.06 Y 0.06 K 0.02 C Shift Assignments>> C :: 174.735 CA :: 53.000 CB :: 40.214 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 :: 9.052 HA :: 5.039 HB2 :: 3.124 HB3 :: 2.433 HD21 :: 6.926 HD22 :: 7.313 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 :: 124.737 ND2 :: 119.119 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.747 CA :: 62.263 CB :: 34.635 CG1 :: 22.230 CG2 :: 22.979 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 :: 8.604 HA :: 5.380 HB :: 2.011 HG1 :: 1.013 HG2 :: 1.150 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 :: 123.511 Ave N Shift Values>> N :: 121.02(4.96) V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.41 I 0.04 C Shift Assignments>> C :: 172.900 CA :: 61.732 CB :: 36.480 CG1 :: 22.282 CG2 :: 20.479 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 :: 8.990 HA :: 4.396 HB :: 1.900 HG1 :: 0.901 HG2 :: 0.951 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 :: 127.426 Ave N Shift Values>> N :: 121.02(4.96) A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 C 0.18 L 0.17 M 0.07 G 0.03 C Shift Assignments>> C :: 176.573 CA :: 49.600 CB :: 22.282 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.981 HA :: 4.370 HB :: 1.215 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.166 Ave N Shift Values>> N :: 123.23(3.7) V67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 175.283 CA :: 60.730 CB :: 33.307 CG1 :: 19.758 CG2 :: 22.016 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 :: 8.785 HA :: 4.573 HB :: 0.350(S) HG1 :: -0.230(S) HG2 :: 0.205 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 :: 121.394 Ave N Shift Values>> N :: 121.02(4.96) H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.13 Q 0.13 W 0.13 R 0.12 C 0.11 K 0.11 M 0.05 I 0.02 C Shift Assignments>> C :: 172.874 CA :: 56.900 CB :: 29.750 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 :: 8.959 HA :: 3.760 HB2 :: 2.639 HB3 :: 2.101 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 :: 126.143 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 C 0.21 M 0.13 C Shift Assignments>> C :: 171.981 CA :: 51.040 CB :: 36.230 CG :: 30.890 CE :: 17.899 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 :: 8.243 HA :: 4.721 HB2 :: 1.640 HB3 :: 1.721 HG2 :: 2.000 HG3 :: 2.643 HE :: 1.720 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 :: 130.658 Ave N Shift Values>> N :: 120.1(3.88) P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.923 CA :: 62.480 CB :: 32.870 CG :: 27.479 CD :: 50.660 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 :: 4.490 HB2 :: 2.069 HB3 :: 1.951 HG2 :: 1.991 HG3 :: 1.958 HD2 :: 3.610 HD3 :: 3.665 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) R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.35 K 0.18 G 0.05 C Shift Assignments>> C :: 175.837 CA :: 56.286 CB :: 31.445 CG :: 27.479 CD :: 43.230 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 :: 9.874 HA :: 4.445 HB2 :: 1.936 HB3 :: 1.640 HG2 :: 1.507 HG3 :: 1.601 HD2 :: 3.085 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 :: 121.824 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.997 CA :: 57.482 CB :: 65.730 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.844 HA :: 4.611 HB2 :: 4.096 HB3 :: 3.910 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 :: 113.956 Ave N Shift Values>> N :: 116.3(3.95) E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.25 K 0.24 E 0.13 R 0.05 M 0.04 I 0.01 HN Overlap>> I94 C Shift Assignments>> CA :: 57.410 CB :: 28.900 CG :: 33.909 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 :: 9.259 HA :: 3.907 HB2 :: 2.115 HB3 :: 1.967 HG2 :: 2.348 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 :: 120.752 Ave N Shift Values>> N :: 120.68(3.68) D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 F 0.16 L 0.15 Y 0.14 C 0.13 K 0.12 N 0.04 R 0.02 I 0.01 HN Overlap>> E46 C Shift Assignments>> CA :: 56.070 CB :: 40.730 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 :: 8.140 HA :: 4.537 HB2 :: 2.400 HB3 :: 2.713 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 :: 120.283 Ave N Shift Values>> N :: 120.73(4.2) D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.22 K 0.12 R 0.12 C 0.1 F 0.05 N 0.04 Y 0.03 G 0.01 HN Overlap>> V143 C Shift Assignments>> C :: 175.277 CA :: 53.780 CB :: 42.339 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 :: 7.466 HA :: 4.770 HB2 :: 2.864 HB3 :: 3.095 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 :: 117.940 Ave N Shift Values>> N :: 120.73(4.2) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.27 R 0.08 G 0.07 A 0.02 C Shift Assignments>> C :: 177.519 CA :: 55.416 CB :: 43.130 CG :: 26.665 CD1 :: 23.230 CD2 :: 25.469 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 :: 7.232 HA :: 4.146 HB2 :: 1.572 HB3 :: 1.823 HG :: 1.682 HD1 :: 0.870 HD2 :: 0.987 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 :: 116.998 Ave N Shift Values>> N :: 121.98(4.07) D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 C 0.11 K 0.09 R 0.08 N 0.08 F 0.03 Y 0.02 G 0.02 HN Overlap>> L136 C Shift Assignments>> C :: 179.130 CA :: 52.356 CB :: 42.230 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 :: 7.473 HA :: 4.760 HB2 :: 2.647 HB3 :: 2.763 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 :: 121.456 Ave N Shift Values>> N :: 120.73(4.2) P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 178.858 CA :: 65.053 CB :: 32.111 CG :: 27.479 CD :: 51.100 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 :: 4.060 HB2 :: 2.181 HB3 :: 1.975 HG2 :: 1.901 HG3 :: 2.119 HD2 :: 3.818 HD3 :: 4.305 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) G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 176.643 CA :: 47.121 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.310 HA2 :: 3.913 HA3 :: 3.802 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.630 Ave N Shift Values>> N :: 109.91(4.29) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 M 0.02 G 0.01 HN Overlap>> A101 C Shift Assignments>> C :: 180.239 CA :: 58.544 CB :: 32.510 CG :: 25.204 CD :: 29.322 CE :: 42.144 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 :: 7.706 HA :: 4.207 HB2 :: 1.855 HG2 :: 1.426 HG3 :: 1.531 HD2 :: 1.716 HD3 :: 1.669 HE2 :: 2.991 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 :: 123.799 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.178 CA :: 65.980 CB :: 37.980 CG1 :: 28.214 CG2 :: 17.000 CD1 :: 14.844 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 :: 7.820 HA :: 3.385 HB :: 1.502 HG2 :: 0.411 HG12 :: 1.392 HG13 :: -0.390(S) HD1 :: 0.260 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 :: 123.096 Ave N Shift Values>> N :: 121.6(4.72) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.01 G 0.01 C Shift Assignments>> C :: 179.480 CA :: 60.130 CB :: 32.500 CG :: 25.119 CD :: 29.729 CE :: 42.145 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 :: 8.080 HA :: 3.849 HB2 :: 1.937 HB3 :: 2.021 HG2 :: 1.457 HG3 :: 1.549 HD2 :: 1.712 HE2 :: 2.930 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 :: 120.676 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.24 K 0.03 M 0.02 C Shift Assignments>> C :: 179.497 CA :: 59.474 CB :: 29.853 CG :: 36.837 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 :: 8.200 HA :: 4.145 HB2 :: 2.149 HB3 :: 2.282 HG2 :: 2.424 HG3 :: 2.290 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 :: 120.518 Ave N Shift Values>> N :: 120.68(3.68) T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> N141 C Shift Assignments>> C :: 176.468 CA :: 67.000 CB :: 68.480 CG2 :: 22.729 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 :: 8.340 HA :: 4.297 HB :: 4.426 HG2 :: 1.570 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 :: 118.409 Ave N Shift Values>> N :: 115.7(5.05) A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.26 I 0.06 C 0.03 C Shift Assignments>> C :: 179.165 CA :: 55.755 CB :: 18.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.972 HA :: 3.860 HB :: 1.625 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.655 Ave N Shift Values>> N :: 123.23(3.7) A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 181.512 CA :: 54.980 CB :: 17.766 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.870 HA :: 4.207 HB :: 1.528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.752 Ave N Shift Values>> N :: 123.23(3.7) E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.1 I 0.1 Q 0.07 M 0.04 C Shift Assignments>> C :: 177.659 CA :: 58.810 CB :: 29.720 CG :: 35.730 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 :: 7.940 HA :: 3.949 HB2 :: 2.185 HB3 :: 2.004 HG2 :: 1.927 HG3 :: 2.226 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 :: 120.849 Ave N Shift Values>> N :: 120.68(3.68) H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 Q 0.14 E 0.13 W 0.13 R 0.12 K 0.11 C 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 173.424 CA :: 56.480 CB :: 29.729 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 :: 7.395 HA :: 4.435 HB2 :: 3.230 HB3 :: 2.490 HD2 :: 6.906 HE2 :: 7.228 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 :: 114.893 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 Y 0.16 C 0.16 F 0.16 N 0.13 L 0.1 K 0.02 I 0.02 HN Overlap>> K138 C Shift Assignments>> C :: 173.715 CA :: 55.490 CB :: 39.730 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 :: 7.735 HA :: 4.200 HB2 :: 3.000 HB3 :: 2.278 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 :: 119.119 Ave N Shift Values>> N :: 120.73(4.2) I90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.598 CA :: 61.231 CB :: 36.229 CG2 :: 16.960 CD1 :: 12.797 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 :: 8.537 HA :: 3.882 HB :: 1.705 HG2 :: 0.467 HG12 :: 0.626 HG13 :: 1.415 HD1 :: -0.341(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 :: 119.118 Ave N Shift Values>> N :: 121.6(4.72) T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.475 CA :: 61.998 CB :: 69.037 CG2 :: 21.751 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 :: 7.105 HA :: 4.097 HB :: 4.285 HG2 :: 1.043 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 :: 117.244 Ave N Shift Values>> N :: 115.7(5.05) Q92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 R 0.27 K 0.25 Q 0.06 M 0.03 C Shift Assignments>> C :: 171.356 CA :: 53.762 CB :: 26.200 CG :: 32.041 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 :: 10.465(S) HA :: 4.642 HB2 :: 1.815 HB3 :: 2.635 HG2 :: 2.400 HG3 :: 2.190 HE22 :: 7.701 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 :: 127.855 NE2 :: 118.878 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 175.564 CA :: 64.870 CB :: 32.775 CG :: 28.578 CD :: 50.300 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 :: 4.745 HB2 :: 2.645 HB3 :: 2.293 HG2 :: 1.846 HG3 :: 2.066 HD2 :: 4.002 HD3 :: 3.990 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) I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.33 G 0.03 A 0.01 HN Overlap>> E73 C Shift Assignments>> C :: 174.551 CA :: 59.076 CB :: 42.180 CG1 :: 26.980 CG2 :: 19.000 CD1 :: 15.641 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 :: 9.271 HA :: 5.102 HB :: 1.894 HG2 :: 0.830 HG12 :: 2.328 HG13 :: 0.726 HD1 :: 0.939 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 :: 120.752 Ave N Shift Values>> N :: 121.6(4.72) F95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.23 C 0.22 F 0.19 D 0.1 N 0.09 E 0.05 I 0.04 L 0.04 C Shift Assignments>> C :: 175.690 CA :: 56.286 CB :: 38.730 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 :: 9.102 HA :: 3.464 HB2 :: 1.770(S) HB3 :: 2.785 HD1 :: 6.925 HE1 :: 7.017 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 :: 131.609 Ave N Shift Values>> N :: 120.69(4.18) V96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.12 V 0.08 C Shift Assignments>> C :: 174.429 CA :: 64.230 CB :: 39.124(S) CG1 :: 22.946 CG2 :: 21.619 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 :: 8.575 HA :: 3.947 HB :: 2.135 HG1 :: 0.863 HG2 :: 0.732 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 :: 131.534 Ave N Shift Values>> N :: 121.02(4.96) D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 N 0.12 K 0.11 C 0.1 F 0.07 Y 0.05 R 0.03 C Shift Assignments>> C :: 178.659 CA :: 53.730 CB :: 41.210 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 :: 8.921 HA :: 5.340 HB2 :: 3.038 HB3 :: 2.172 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 :: 134.344 Ave N Shift Values>> N :: 120.73(4.2) S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.834 CA :: 61.800 CB :: 63.064 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.151 HA :: 4.077 HB2 :: 3.526 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 :: 114.654 Ave N Shift Values>> N :: 116.3(3.95) D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 C 0.11 K 0.11 N 0.1 F 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.148 CA :: 54.480 CB :: 40.980 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 :: 8.468 HA :: 4.178 HB2 :: 2.850 HB3 :: 2.601 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 :: 117.808 Ave N Shift Values>> N :: 120.73(4.2) H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 K 0.12 Q 0.12 C 0.12 W 0.1 H 0.09 L 0.08 E 0.08 I 0.07 C Shift Assignments>> C :: 173.455 CA :: 57.860 CB :: 27.730 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 :: 8.005 HA :: 4.306 HB2 :: 3.410 HB3 :: 3.340 HD2 :: 7.038 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 :: 114.444 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.3 C 0.06 V 0.03 L 0.03 I 0.02 T 0.01 HN Overlap>> K80 C Shift Assignments>> C :: 180.752 CA :: 55.622 CB :: 19.758 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.670 HA :: 4.190 HB :: 1.562 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.871 Ave N Shift Values>> N :: 123.23(3.7) L102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.59 C 0.33 R 0.04 G 0.01 C Shift Assignments>> C :: 180.334 CA :: 57.250 CB :: 42.210 CG :: 26.730 CD1 :: 23.979 CD2 :: 24.479 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 :: 10.498(S) HA :: 4.309 HB2 :: 1.180 HB3 :: 1.064 HG :: 1.333 HD1 :: 0.714 HD2 :: -0.430(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 :: 126.697 Ave N Shift Values>> N :: 121.98(4.07) T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.608 CA :: 68.980 CB :: 68.980 CG2 :: 22.480 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 :: 10.014 HA :: 3.786 HB :: 3.492 HG2 :: 1.109 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 :: 121.924 Ave N Shift Values>> N :: 115.7(5.05) D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.09 L 0.07 I 0.06 N 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 179.761 CA :: 57.216 CB :: 39.730 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 :: 8.195 HA :: 4.483 HB2 :: 2.911 HB3 :: 2.613 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 :: 121.456 Ave N Shift Values>> N :: 120.73(4.2) A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.04 C 0.03 C Shift Assignments>> C :: 180.146 CA :: 55.225 CB :: 18.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.927 HA :: 4.200 HB :: 1.651 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.005 Ave N Shift Values>> N :: 123.23(3.7) F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.18 I 0.15 L 0.04 K 0.03 D 0.02 C Shift Assignments>> C :: 175.032 CA :: 58.981 CB :: 40.010 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 :: 8.603 HA :: 3.990 HB2 :: 2.906 HB3 :: 2.577 HD1 :: 6.685 HE1 :: 6.766 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 :: 117.471 Ave N Shift Values>> N :: 120.69(4.18) E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.24 R 0.13 E 0.05 M 0.02 C Shift Assignments>> C :: 175.592 CA :: 56.817 CB :: 27.650 CG :: 33.466 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 :: 7.918 HA :: 3.777 HB2 :: 1.944 HB3 :: 2.070 HG2 :: 2.169 HG3 :: 1.932 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 :: 120.340 Ave N Shift Values>> N :: 120.68(3.68) N108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.24 L 0.16 C 0.12 F 0.12 Y 0.1 K 0.1 N 0.09 R 0.01 C Shift Assignments>> C :: 174.230 CA :: 55.091 CB :: 40.730 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 :: 7.970 HA :: 4.229 HB2 :: 1.663(S) HB3 :: 2.144 HD21 :: 6.099 HD22 :: 7.364 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 :: 116.065 ND2 :: 116.768 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.32 M 0.21 Q 0.02 I 0.02 K 0.01 C Shift Assignments>> C :: 175.452 CA :: 57.000 CB :: 32.000 CG :: 36.230 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 :: 8.328 HA :: 4.025 HB2 :: 1.340 HG2 :: 1.825 HG3 :: 1.665 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 :: 126.336 Ave N Shift Values>> N :: 120.68(3.68) Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Y 0.35 F 0.2 G 0.01 C Shift Assignments>> C :: 174.716 CA :: 56.460 CB :: 41.980 CD1 :: 133.789 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 :: 7.935 HA :: 4.800 HB2 :: 3.030 HB3 :: 2.679 HD1 :: 7.096 HE1 :: 6.780 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 :: 118.410 Ave N Shift Values>> N :: 120.79(4.69) V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 I 0.08 A 0.05 V 0.04 C Shift Assignments>> C :: 173.631 CA :: 58.000 CB :: 34.980 CG1 :: 23.979 CG2 :: 18.479 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 :: 8.088 HA :: 4.399 HB :: 1.891 HG1 :: 0.800 HG2 :: 0.900 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 :: 112.088 Ave N Shift Values>> N :: 121.02(4.96) P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.81 P 0.16 C Shift Assignments>> C :: 175.452 CA :: 62.750 CB :: 34.980 CG :: 24.595 CD :: 50.150 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 :: 4.772 HB2 :: 2.613 HB3 :: 1.900 HG2 :: 1.876 HG3 :: 1.888 HD2 :: 3.200 HD3 :: 3.610 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) A113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.17 K 0.17 R 0.09 P 0.05 H 0.02 Q 0.02 M 0.02 W 0.01 C Shift Assignments>> C :: 175.487 CA :: 52.310 CB :: 25.200(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.170 HA :: 4.814 HB :: 1.660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.878 Ave N Shift Values>> N :: 123.23(3.7) Y114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 K 0.16 Y 0.16 C 0.14 L 0.13 D 0.08 I 0.04 R 0.03 N 0.01 C Shift Assignments>> C :: 172.965 CA :: 57.480 CB :: 41.000 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 :: 8.809 HA :: 5.282 HB2 :: 2.725 HB3 :: 2.615 HD1 :: 6.911 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 :: 119.754 Ave N Shift Values>> N :: 120.79(4.69) Y115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 174.366 CA :: 57.482 CB :: 41.277 CD1 :: 133.165 CE1 :: 118.916 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 :: 9.473 HA :: 5.054 HB2 :: 3.452 HB3 :: 2.898 HD1 :: 7.324 HE1 :: 6.450 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 :: 121.871 Ave N Shift Values>> N :: 120.79(4.69) V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.436 CA :: 61.000 CB :: 33.480 CG1 :: 21.729 CG2 :: 21.480 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 :: 9.072 HA :: 5.032 HB :: 2.091 HG1 :: 0.837 HG2 :: 0.806 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 :: 122.393 Ave N Shift Values>> N :: 121.02(4.96) F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.21 R 0.14 D 0.11 C 0.1 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> C :: 176.328 CA :: 56.286 CB :: 42.070 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 :: 10.124 HA :: 5.287 HB2 :: 3.025 HB3 :: 2.851 HD1 :: 7.197 HE1 :: 7.285 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 :: 129.195 Ave N Shift Values>> N :: 120.69(4.18) D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 N 0.12 C 0.1 K 0.1 F 0.05 Y 0.04 R 0.04 C Shift Assignments>> C :: 178.465 CA :: 53.040 CB :: 41.480 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 :: 8.590 HA :: 4.623 HB2 :: 3.627 HB3 :: 2.737 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 :: 118.860 Ave N Shift Values>> N :: 120.73(4.2) K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.37 R 0.14 M 0.06 C Shift Assignments>> C :: 176.083 CA :: 58.540 CB :: 32.230 CG :: 23.800 CD :: 29.853 CE :: 41.941 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 :: 9.360 HA :: 4.183 HB2 :: 1.635 HB3 :: 1.323 HG2 :: 1.110 HG3 :: 1.474 HD2 :: 1.525 HD3 :: 1.582 HE2 :: 2.733 HE3 :: 2.915 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 :: 118.878 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.907 CA :: 61.730 CB :: 69.569 CG2 :: 22.230 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 :: 8.266 HA :: 4.549 HB :: 4.411 HG2 :: 1.180 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 :: 111.378 Ave N Shift Values>> N :: 115.7(5.05) G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 172.650 CA :: 45.730 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.557 HA2 :: 4.260 HA3 :: 3.504 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.260 Ave N Shift Values>> N :: 109.91(4.29) Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.22 M 0.19 E 0.17 K 0.13 C Shift Assignments>> C :: 177.659 CA :: 55.230 CB :: 30.480 CG :: 34.502 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 :: 7.892 HA :: 4.584 HB2 :: 2.056 HB3 :: 1.640 HG2 :: 2.300 HG3 :: 2.056 HE21 :: 7.600 HE22 :: 6.641 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 :: 120.518 NE2 :: 111.138 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.36 R 0.06 K 0.01 C Shift Assignments>> C :: 177.274 CA :: 56.730 CB :: 40.980 CG :: 27.259 CD1 :: 26.230 CD2 :: 24.009 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 :: 8.749 HA :: 3.673 HB2 :: 1.984 HB3 :: 1.357 HG :: 1.268 HD1 :: 0.800 HD2 :: 0.518 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 :: 125.206 Ave N Shift Values>> N :: 121.98(4.07) R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 K 0.15 R 0.05 C Shift Assignments>> C :: 176.503 CA :: 53.340 CB :: 31.430 CG :: 26.916 CD :: 40.008 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 :: 9.477 HA :: 4.770 HB2 :: 1.471 HB3 :: 1.978 HG2 :: 1.671 HG3 :: 1.857 HD2 :: 3.022 HD3 :: 3.378 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 :: 127.087 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Q 0.18 M 0.16 K 0.16 E 0.1 W 0.03 V 0.03 R 0.02 H 0.02 Y 0.01 C Shift Assignments>> C :: 171.038 CA :: 57.310 CB :: 34.237 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 :: 7.621 HA :: 4.796 HB2 :: 3.154 HB3 :: 2.295 HD2 :: 6.240 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 :: 117.002 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 F 0.23 Y 0.21 G 0.19 C Shift Assignments>> C :: 172.930 CA :: 54.692 CB :: 43.300 CD1 :: 132.290 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 :: 7.270 HA :: 5.278 HB2 :: 2.739 HB3 :: 2.397 HD1 :: 6.344 HE1 :: 7.192 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 :: 127.438 Ave N Shift Values>> N :: 120.69(4.18) Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.27 E 0.17 Q 0.01 HN Overlap>> L62 C Shift Assignments>> C :: 171.354 CA :: 54.490 CB :: 33.050 CG :: 36.329 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 :: 7.737 HA :: 3.798 HB2 :: 1.818 HB3 :: 1.927 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 :: 120.284 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 L 0.32 C 0.15 M 0.12 K 0.02 C Shift Assignments>> C :: 177.274 CA :: 51.260 CB :: 22.479 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.393 HA :: 4.818 HB :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.799 Ave N Shift Values>> N :: 123.23(3.7) G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.032 CA :: 44.730 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.111 HA2 :: 3.765 HA3 :: 4.333 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.456 Ave N Shift Values>> N :: 109.91(4.29) G130 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 0.01 C Shift Assignments>> CA :: 45.660 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.563 HA2 :: 3.887 HA3 :: 4.081 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.774 Ave N Shift Values>> N :: 109.91(4.29) S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.411 CB :: 62.980 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.350 HB2 :: 3.860 HB3 :: 4.060 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) G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> CA :: 45.980 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.715 HA2 :: 4.080 HA3 :: 3.888 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 123.250 Ave N Shift Values>> N :: 109.91(4.29) M133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.73 I 0.15 V 0.11 C Shift Assignments>> CG :: 31.712 CE :: 17.979 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>> HA :: 4.396 HB2 :: 1.914 HB3 :: 1.984 HG2 :: 2.477 HG3 :: 2.539 HE :: 1.457 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) K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 R 0.27 K 0.14 C Shift Assignments>> CA :: 57.350 CB :: 32.260 CD :: 25.602 CE :: 41.675 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>> HD2 :: 1.390 HE2 :: 2.725 HE3 :: 2.902 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) M135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.18 A 0.02 M 0.01 C Shift Assignments>> CA :: 57.980 CB :: 31.720 CG :: 36.748 CE :: 16.729 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 :: 7.712 HA :: 4.098 HB2 :: 2.477 HB3 :: 2.393 HE :: 2.070 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 :: 120.752 Ave N Shift Values>> N :: 120.1(3.88) L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.47 R 0.01 HN Overlap>> D77 C Shift Assignments>> C :: 178.184 CA :: 58.330 CB :: 40.480 CG :: 26.533 CD1 :: 23.730 CD2 :: 25.730 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 :: 7.482 HA :: 3.625 HB2 :: 1.826 HB3 :: 1.196 HG :: 1.182 HD1 :: 0.575 HD2 :: 0.250 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 :: 121.455 Ave N Shift Values>> N :: 121.98(4.07) E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.24 K 0.06 Q 0.02 M 0.02 HN Overlap>> R55 C Shift Assignments>> C :: 177.974 CA :: 60.005 CB :: 29.480 CG :: 36.230 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 :: 8.100 HA :: 3.395 HB2 :: 2.120 HB3 :: 2.057 HG2 :: 2.176 HG3 :: 2.096 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 :: 119.112 Ave N Shift Values>> N :: 120.68(3.68) K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.01 G 0.01 HN Overlap>> D89 C Shift Assignments>> C :: 180.041 CA :: 59.740 CB :: 32.310 CG :: 25.213 CD :: 29.450 CE :: 42.142 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 :: 7.650 HA :: 3.978 HB2 :: 1.915 HB3 :: 1.845 HG2 :: 1.366 HG3 :: 1.548 HD2 :: 1.636 HE2 :: 2.885 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 :: 119.080 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.39 C 0.3 R 0.14 L 0.14 C Shift Assignments>> C :: 179.410 CA :: 57.349 CB :: 29.040 CG :: 25.479 CD :: 41.480 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 :: 7.930 HA :: 3.865 HB2 :: 1.495 HB3 :: 1.197 HG2 :: 0.057(S) HG3 :: 1.401 HD2 :: 2.878 HD3 :: 2.731 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 :: 119.112 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.204 CA :: 67.178 CB :: 31.230 CG1 :: 23.730 CG2 :: 21.485 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 :: 8.504 HA :: 3.299 HB :: 1.892 HG1 :: 0.668 HG2 :: 0.438 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 :: 121.640 Ave N Shift Values>> N :: 121.02(4.96) N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.23 F 0.16 E 0.11 N 0.07 I 0.06 D 0.05 M 0.01 L 0.01 HN Overlap>> T84 C Shift Assignments>> C :: 178.149 CA :: 56.685 CB :: 38.090 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 :: 8.392 HA :: 4.205 HB2 :: 2.846 HB3 :: 2.679 HD21 :: 7.318 HD22 :: 7.086 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 :: 118.410 ND2 :: 111.377 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 K 0.07 G 0.07 L 0.01 HN Overlap>> L26 C Shift Assignments>> C :: 178.675 CA :: 59.180 CB :: 29.979 CG :: 27.007 CD :: 43.268 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 :: 7.710 HA :: 4.088 HB2 :: 1.944 HG2 :: 1.727 HG3 :: 1.695 HD2 :: 3.139 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 :: 120.000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> D75 C Shift Assignments>> C :: 178.990 CA :: 65.584 CB :: 31.479 CG1 :: 22.479 CG2 :: 21.730 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 :: 7.486 HA :: 3.925 HB :: 2.145 HG1 :: 0.957 HG2 :: 0.931 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 :: 117.940 Ave N Shift Values>> N :: 121.02(4.96) L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.35 R 0.07 C Shift Assignments>> C :: 178.394 CA :: 57.420 CB :: 41.730 CG :: 26.729 CD1 :: 24.000 CD2 :: 25.730 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 :: 8.170 HA :: 4.063 HB2 :: 1.415 HB3 :: 1.808 HG :: 1.553 HD1 :: 0.754 HD2 :: 0.388 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 :: 121.924 Ave N Shift Values>> N :: 121.98(4.07) A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.24 C 0.02 C Shift Assignments>> C :: 178.149 CA :: 52.965 CB :: 19.094 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.585 HA :: 4.303 HB :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.518 Ave N Shift Values>> N :: 123.23(3.7) E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.1 K 0.07 M 0.04 Q 0.02 C Shift Assignments>> C :: 176.853 CA :: 57.230 CB :: 29.540 CG :: 36.730 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 :: 7.559 HA :: 4.288 HB2 :: 2.167 HG2 :: 2.555 HG3 :: 2.325 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 :: 118.654 Ave N Shift Values>> N :: 120.68(3.68) T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.876 CA :: 61.980 CB :: 69.968 CG2 :: 21.730 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 :: 8.012 HA :: 4.390 HB :: 4.337 HG2 :: 1.263 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 :: 115.356 Ave N Shift Values>> N :: 115.7(5.05) E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.1 M 0.09 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.297 CA :: 58.230 CB :: 31.000 CG :: 36.827 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 :: 7.982 HA :: 4.133 HB2 :: 2.060 HB3 :: 1.908 HG2 :: 2.214 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 :: 128.953 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 133 #Clerical: 0 #Suspicious: 15 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 148 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 0 C Shift Results: #Consistent: 598 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 798 #Duplicate: 0 #Unknown: 0 #Suspicious: 18 #Anomalous: 0 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: E20 HA = 2.758(S), Expected = 4.26, Std = 0.4300, ChiSquare = 4.7758e-04 E20 HB2 = 1.133(S), Expected = 2.04, Std = 0.2200, ChiSquare = 3.7441e-05 E20 HB3 = 1.070(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.4714e-05 E20 HG3 = 1.491(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6193e-05 V21 H = 4.897(S), Expected = 8.29, Std = 0.7100, ChiSquare = 1.7628e-06 W37 HE1 = 7.444(S), Expected = 10.13, Std = 0.5300, ChiSquare = 4.0218e-07 I39 H = 10.904(S), Expected = 8.26, Std = 0.7100, ChiSquare = 1.9613e-04 C44 HB2 = 4.401(S), Expected = 2.95, Std = 0.4300, ChiSquare = 7.3972e-04 V67 HB = 0.350(S), Expected = 1.99, Std = 0.3300, ChiSquare = 6.7058e-07 V67 HG1 = -0.230(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.4025e-05 I81 HG13 = -0.390(S), Expected = 1.24, Std = 0.4000, ChiSquare = 4.6014e-05 I90 HD1 = -0.341(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.2046e-04 Q92 H = 10.465(S), Expected = 8.22, Std = 0.6200, ChiSquare = 2.9350e-04 F95 HB2 = 1.770(S), Expected = 2.99, Std = 0.3700, ChiSquare = 9.7620e-04 V96 CB = 39.124(S), Expected = 32.66, Std = 1.9100, ChiSquare = 7.1362e-04 L102 H = 10.498(S), Expected = 8.22, Std = 0.6500, ChiSquare = 4.5727e-04 L102 HD2 = -0.430(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.1377e-05 N108 HB2 = 1.663(S), Expected = 2.80, Std = 0.3400, ChiSquare = 8.2545e-04 A113 CB = 25.200(S), Expected = 18.90, Std = 1.8500, ChiSquare = 6.6066e-04 R139 HG2 = 0.057(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.6932e-08