Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.117 CA :: 58.995 CB :: 63.715 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.390 HB2 :: 3.802 HB3 :: 3.872 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) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.085 CA :: 45.368 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.260 HA2 :: 3.822 HA3 :: 3.792 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.173 Ave N Shift Values>> N :: 109.91(4.29) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 176.296 CA :: 59.153 CB :: 39.538 CD1 :: 133.232 CD2 :: 133.232 CE1 :: 118.084 CE2 :: 118.084 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 :: 7.996 HA :: 4.342 HB2 :: 3.040 HB3 :: 2.603 HD1 :: 7.105 HD2 :: 7.105 HE1 :: 6.744 HE2 :: 6.744 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 :: 118.435 Ave N Shift Values>> N :: 120.79(4.69) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.550 CA :: 45.200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.247 HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.981 Ave N Shift Values>> N :: 109.91(4.29) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.022 CA :: 57.731 CB :: 63.777 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.713 HA :: 4.633 HB2 :: 3.892 HB3 :: 3.559 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 :: 113.548 Ave N Shift Values>> N :: 116.3(3.95) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.26 E 0.12 Q 0.01 C Shift Assignments>> C :: 174.730 CA :: 54.518 CB :: 33.538 CG :: 36.127 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 :: 7.736 HA :: 4.900 HB2 :: 1.989 HB3 :: 1.922 HG2 :: 2.278 HG3 :: 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 :: 120.003 Ave N Shift Values>> N :: 120.68(3.68) 1.K12 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.71 K 0.18 R 0.09 C Shift Assignments>> C :: 172.678 CA :: 56.818 CB :: 37.209 CG :: 25.388 CD :: 28.956 CE :: 40.648 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 :: 7.840 HA :: 4.215 HB2 :: 1.518 HB3 :: 0.720(S) HG2 :: -0.048(S) HG3 :: 0.992 HD2 :: -0.672(A) HD3 :: 0.671(S) HE2 :: 1.662(S) HE3 :: 1.496(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.840 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.37 R 0.16 M 0.03 G 0.01 C Shift Assignments>> C :: 175.694 CA :: 55.115 CB :: 35.182 CG :: 24.491 CD :: 29.716 CE :: 42.045 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 :: 8.469 HA :: 5.133 HB2 :: 1.803 HB3 :: 1.732 HG2 :: 1.468 HG3 :: 1.402 HD2 :: 1.593 HD3 :: 1.593 HE2 :: 2.938 HE3 :: 2.938 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 :: 124.854 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G14 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 C Shift Assignments>> C :: 171.028 CA :: 46.053 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.862 HA2 :: 4.474 HA3 :: 4.087 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.117 Ave N Shift Values>> N :: 109.91(4.29) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 175.196 CA :: 57.976 CB :: 41.758 CD1 :: 133.159 CD2 :: 133.159 CE1 :: 118.084 CE2 :: 118.084 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 :: 9.320 HA :: 5.452 HB2 :: 2.882 HB3 :: 2.732 HD1 :: 7.002 HD2 :: 7.002 HE1 :: 6.818 HE2 :: 6.818 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 :: 122.003 Ave N Shift Values>> N :: 120.79(4.69) 1.L16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 A 0.15 G 0.11 L 0.08 C Shift Assignments>> C :: 175.649 CA :: 53.640 CB :: 48.047 CG :: 27.250 CD1 :: 23.076 CD2 :: 23.396 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 :: 8.752 HA :: 4.501 HB2 :: 1.497 HB3 :: 1.174 HG :: 0.604 HD11 :: -0.604(S) HD12 :: -0.604(S) HD13 :: -0.604(S) HD21 :: 0.122 HD22 :: 0.122 HD23 :: 0.122 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 :: 120.456 Ave N Shift Values>> N :: 121.98(4.07) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.22 R 0.06 G 0.05 A 0.04 C Shift Assignments>> C :: 175.956 CA :: 53.993 CB :: 42.891 CG :: 27.250 CD1 :: 24.817 CD2 :: 23.059 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 :: 8.572 HA :: 5.113 HB2 :: 1.811 HB3 :: 1.310 HG :: 1.540 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 HD21 :: 0.713 HD22 :: 0.713 HD23 :: 0.713 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 :: 118.708 Ave N Shift Values>> N :: 121.98(4.07) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.26 R 0.13 M 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 177.071 CA :: 54.044 CB :: 36.655 CG :: 24.195 CD :: 29.646 CE :: 41.716 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 :: 9.484 HA :: 5.422 HB2 :: 1.654 HB3 :: 1.433 HG2 :: 1.183 HG3 :: 0.862 HD2 :: 1.396 HD3 :: 1.562 HE2 :: 3.062 HE3 :: 2.802 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 :: 123.351 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.09 M 0.03 C Shift Assignments>> C :: 176.696 CA :: 56.888 CB :: 32.683 CG :: 24.691 CD :: 28.851 CE :: 41.048 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 :: 8.296 HA :: 3.803 HB2 :: 1.194 HB3 :: 0.304(S) HG2 :: -0.163(S) HG3 :: 0.692 HD2 :: 0.792 HD3 :: 0.792 HE2 :: 1.979(S) HE3 :: 1.979(S) 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 :: 133.946 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.275 CA :: 58.984 CB :: 64.130 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.889 HA :: 4.233 HB2 :: 3.800 HB3 :: 4.121 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 :: 123.686 Ave N Shift Values>> N :: 116.3(3.95) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.21 K 0.14 R 0.12 C 0.1 F 0.05 Y 0.04 N 0.04 C Shift Assignments>> C :: 176.600 CA :: 54.237 CB :: 42.215 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 :: 8.237 HA :: 4.673 HB2 :: 2.720 HB3 :: 2.511 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 :: 118.614 Ave N Shift Values>> N :: 120.73(4.2) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.607 CA :: 44.509 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.028 HA2 :: 3.986 HA3 :: 3.986 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.080 Ave N Shift Values>> N :: 109.91(4.29) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.040 CA :: 63.402 CB :: 38.257 CG1 :: 27.908 CG2 :: 17.469 CD1 :: 13.072 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 :: 8.092 HA :: 3.832 HB :: 1.787 HG12 :: 1.195 HG13 :: 1.445 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 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 :: 118.522 Ave N Shift Values>> N :: 121.6(4.72) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.33 K 0.11 G 0.06 L 0.01 C Shift Assignments>> C :: 175.422 CA :: 55.396 CB :: 30.204 CG :: 27.462 CD :: 43.255 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 :: 7.980 HA :: 4.293 HB2 :: 1.665 HB3 :: 1.665 HG2 :: 1.555 HG3 :: 1.432 HD2 :: 3.134 HD3 :: 3.134 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 :: 120.371 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 C 0.31 R 0.29 M 0.03 G 0.03 C Shift Assignments>> C :: 175.556 CA :: 55.677 CB :: 31.867 CG :: 24.800 CD :: 28.977 CE :: 42.867 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 :: 8.257 HA :: 4.036 HB2 :: 1.609 HB3 :: 1.292 HG2 :: 1.264 HG3 :: 1.192 HD2 :: 1.452 HD3 :: 1.452 HE2 :: 2.942 HE3 :: 2.942 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 :: 124.193 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.28 I 0.01 C Shift Assignments>> C :: 175.529 CA :: 59.416 CB :: 34.936 CG1 :: 21.457 CG2 :: 18.807 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 :: 8.034 HA :: 4.331 HB :: 2.043 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 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 :: 117.927 Ave N Shift Values>> N :: 121.02(4.96) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.48 C 0.47 H 0.04 C Shift Assignments>> C :: 176.642 CA :: 57.063 CB :: 30.509 CD1 :: 128.120 CE3 :: 119.818 CZ2 :: 115.063 CZ3 :: 122.748 CH2 :: 123.825 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 :: 8.648 HA :: 4.542 HB2 :: 3.072 HB3 :: 2.944 HD1 :: 7.253 HE1 :: 10.053 HE3 :: 6.931 HZ2 :: 7.339 HZ3 :: 6.714 HH2 :: 6.892 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 :: 123.878 NE1 :: 128.922 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.33 Q 0.13 E 0.09 K 0.02 C Shift Assignments>> C :: 174.904 CA :: 54.201 CB :: 32.300 CG :: 34.237 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 :: 8.635 HA :: 4.787 HB2 :: 2.083 HB3 :: 2.013 HG2 :: 2.301 HG3 :: 2.301 HE21 :: 7.002 HE22 :: 7.633 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 :: 121.691 NE2 :: 113.294 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.36 K 0.2 G 0.05 C Shift Assignments>> C :: 176.681 CA :: 57.871 CB :: 31.013 CG :: 28.648 CD :: 43.205 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 :: 9.074 HA :: 4.552 HB2 :: 1.809 HB3 :: 1.657 HG2 :: 1.522 HG3 :: 1.453 HD2 :: 2.863 HD3 :: 2.863 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 :: 126.253 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.29 R 0.21 G 0.04 C Shift Assignments>> C :: 174.898 CA :: 52.902 CB :: 33.605 CG :: 27.098 CD :: 42.456 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 :: 9.532 HA :: 4.945 HB2 :: 1.583 HB3 :: 1.845 HG2 :: 1.664 HG3 :: 1.392 HD2 :: 3.334 HD3 :: 3.181 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 :: 126.844 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K31 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 0.02 C Shift Assignments>> C :: 176.041 CA :: 56.923 CB :: 32.634 CG :: 25.113 CD :: 29.105 CE :: 41.881 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 :: 8.832 HA :: 4.094 HB2 :: 1.781 HB3 :: 1.569 HG2 :: 1.162 HG3 :: 1.090 HD2 :: 1.554 HD3 :: 1.554 HE2 :: 2.875 HE3 :: 2.875 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 :: 125.655 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.17 M 0.15 Q 0.1 W 0.09 R 0.09 H 0.07 E 0.06 V 0.04 C Shift Assignments>> C :: 173.437 CA :: 57.485 CB :: 32.693 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.854 HA :: 5.711 HB2 :: 2.463 HB3 :: 2.323 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 :: 124.713 Ave N Shift Values>> N :: 119.95(4.79) 1.S33 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 :: 172.799 CA :: 56.555 CB :: 65.881 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.770 HA :: 5.563 HB2 :: 3.913 HB3 :: 3.852 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 :: 114.858 Ave N Shift Values>> N :: 116.3(3.95) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 C Shift Assignments>> C :: 174.913 CA :: 60.259 CB :: 34.930 CG1 :: 21.661 CG2 :: 23.634 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 :: 9.272 HA :: 5.300 HB :: 1.750 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 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 :: 123.527 Ave N Shift Values>> N :: 121.02(4.96) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.36 R 0.18 M 0.02 G 0.01 C Shift Assignments>> C :: 175.778 CA :: 56.940 CB :: 35.141 CG :: 24.702 CD :: 29.305 CE :: 42.210 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 :: 8.184 HA :: 4.370 HB2 :: 1.908 HB3 :: 1.700 HG2 :: 1.274 HG3 :: 1.274 HD2 :: 1.598 HD3 :: 1.598 HE2 :: 2.916 HE3 :: 2.916 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 :: 125.816 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.24 Y 0.12 E 0.08 F 0.07 D 0.07 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 174.557 CA :: 54.271 CB :: 37.566 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 :: 9.862 HA :: 4.322 HB2 :: 3.010 HB3 :: 2.722 HD21 :: 7.570 HD22 :: 6.922 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 :: 126.045 ND2 :: 111.938 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G37 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 C Shift Assignments>> C :: 172.392 CA :: 46.053 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.252 HA2 :: 3.933 HA3 :: 3.624 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.964 Ave N Shift Values>> N :: 109.91(4.29) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 A 0.01 C Shift Assignments>> C :: 176.169 CA :: 58.503 CB :: 39.877 CG1 :: 26.859 CG2 :: 17.305 CD1 :: 11.387 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 :: 7.749 HA :: 4.812 HB :: 2.000 HG12 :: 1.241 HG13 :: 1.432 HG21 :: 0.689 HG22 :: 0.689 HG23 :: 0.689 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 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 :: 120.177 Ave N Shift Values>> N :: 121.6(4.72) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.2 L 0.2 R 0.07 A 0.02 C Shift Assignments>> C :: 174.428 CA :: 53.148 CB :: 44.708 CG :: 27.465 CD1 :: 23.634 CD2 :: 27.060 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 :: 9.077 HA :: 5.277 HB2 :: 1.801 HB3 :: 1.105 HG :: 1.281 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.481 HD22 :: 0.481 HD23 :: 0.481 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 :: 131.378 Ave N Shift Values>> N :: 121.98(4.07) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.326 CA :: 62.068 CB :: 69.492 CG2 :: 21.759 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.683 HA :: 5.156 HB :: 4.074 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 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 :: 124.873 Ave N Shift Values>> N :: 115.7(5.05) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 175.976 CA :: 60.084 CB :: 40.617 CG1 :: 26.922 CG2 :: 17.674 CD1 :: 15.035 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 :: 9.111 HA :: 4.702 HB :: 1.753 HG12 :: 1.402 HG13 :: 0.913 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 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 :: 127.122 Ave N Shift Values>> N :: 121.6(4.72) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.783 CA :: 59.662 CB :: 64.160 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.814 HA :: 4.492 HB2 :: 4.012 HB3 :: 4.012 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 :: 123.373 Ave N Shift Values>> N :: 116.3(3.95) 1.H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 H 0.32 W 0.31 C Shift Assignments>> C :: 175.677 CA :: 57.485 CB :: 31.607 CD2 :: 119.299 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 :: 8.943 HA :: 4.402 HB2 :: 3.042 HB3 :: 3.243 HD2 :: 7.132 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.669 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.45 M 0.43 C 0.04 L 0.02 V 0.01 I 0.01 C Shift Assignments>> CA :: 54.756 CB :: 19.581 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.204 HB1 :: 1.469 HB2 :: 1.469 HB3 :: 1.469 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.166 CB :: 70.297 CG2 :: 21.791 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>> HA :: 4.593 HB :: 4.367 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 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) 1.S46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.21 D 0.1 Y 0.09 F 0.06 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 174.867 CA :: 53.446 CB :: 37.853 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>> HA :: 4.700 HB2 :: 2.872 HB3 :: 2.872 HD21 :: 6.884 HD22 :: 7.585 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>> ND2 :: 112.495 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.33 K 0.18 G 0.04 C Shift Assignments>> C :: 175.760 CA :: 55.431 CB :: 31.113 CG :: 27.381 CD :: 43.032 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 :: 7.664 HA :: 4.312 HB2 :: 1.661 HB3 :: 1.499 HG2 :: 1.433 HG3 :: 1.552 HD2 :: 2.972 HD3 :: 2.972 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 :: 118.143 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 R 0.07 E 0.06 M 0.04 C Shift Assignments>> C :: 173.885 CA :: 54.400 CB :: 28.423 CG :: 33.705 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 :: 8.497 HA :: 4.472 HB2 :: 1.971 HB3 :: 2.141 HG2 :: 2.444 HG3 :: 2.444 HE21 :: 7.581 HE22 :: 6.924 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 :: 122.064 NE2 :: 113.006 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.339 CA :: 62.742 CB :: 33.223 CG :: 26.961 CD :: 50.598 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 :: 4.663 HB2 :: 2.189 HB3 :: 1.732 HG2 :: 2.042 HG3 :: 1.835 HD2 :: 3.694 HD3 :: 3.781 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) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.13 C 0.04 L 0.03 C Shift Assignments>> C :: 176.394 CA :: 51.497 CB :: 20.532 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.244 HA :: 4.583 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.655 Ave N Shift Values>> N :: 123.23(3.7) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.34 R 0.24 M 0.02 G 0.01 C Shift Assignments>> C :: 175.730 CA :: 55.115 CB :: 35.053 CG :: 25.200 CD :: 29.634 CE :: 42.249 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 :: 8.315 HA :: 5.131 HB2 :: 1.637 HB3 :: 1.434 HG2 :: 1.278 HG3 :: 1.371 HD2 :: 1.592 HD3 :: 1.592 HE2 :: 2.842 HE3 :: 2.905 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 :: 120.064 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.27 C 0.18 R 0.03 C Shift Assignments>> C :: 174.869 CA :: 53.463 CB :: 44.264 CG :: 27.415 CD1 :: 24.814 CD2 :: 24.241 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 :: 9.324 HA :: 4.563 HB2 :: 1.452 HB3 :: 1.284 HG :: 1.288 HD11 :: 0.437 HD12 :: 0.437 HD13 :: 0.437 HD21 :: 0.545 HD22 :: 0.545 HD23 :: 0.545 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 :: 125.174 Ave N Shift Values>> N :: 121.98(4.07) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.19 D 0.12 Y 0.07 F 0.05 E 0.02 L 0.01 M 0.01 C Shift Assignments>> C :: 176.696 CA :: 52.937 CB :: 38.100 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 :: 8.861 HA :: 4.750 HB2 :: 3.062 HB3 :: 2.732 HD21 :: 7.620 HD22 :: 6.870 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 :: 122.344 ND2 :: 111.585 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.4 R 0.07 C Shift Assignments>> C :: 178.050 CA :: 57.503 CB :: 40.912 CG :: 27.220 CD1 :: 22.803 CD2 :: 26.418 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 :: 8.915 HA :: 3.999 HB2 :: 1.709 HB3 :: 1.332 HG :: 1.642 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.468 Ave N Shift Values>> N :: 121.98(4.07) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.35 R 0.07 G 0.01 C Shift Assignments>> C :: 178.383 CA :: 58.204 CB :: 42.089 CG :: 27.250 CD1 :: 24.756 CD2 :: 24.524 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 :: 8.459 HA :: 4.102 HB2 :: 1.782 HB3 :: 1.592 HG :: 1.732 HD11 :: 0.947 HD12 :: 0.947 HD13 :: 0.947 HD21 :: 0.906 HD22 :: 0.906 HD23 :: 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 :: 118.096 Ave N Shift Values>> N :: 121.98(4.07) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.502 CA :: 60.575 CB :: 68.803 CG2 :: 21.597 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 :: 7.514 HA :: 4.569 HB :: 4.590 HG21 :: 1.152 HG22 :: 1.152 HG23 :: 1.152 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 :: 104.828 Ave N Shift Values>> N :: 115.7(5.05) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.14 C 0.13 H 0.11 Q 0.09 K 0.06 M 0.06 V 0.03 I 0.03 C Shift Assignments>> C :: 173.955 CA :: 58.240 CB :: 30.664 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.366 HA :: 5.390 HB2 :: 2.833 HB3 :: 2.422 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 :: 117.765 Ave N Shift Values>> N :: 119.95(4.79) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.28 Q 0.21 E 0.07 K 0.07 C Shift Assignments>> C :: 175.097 CA :: 54.482 CB :: 31.388 CG :: 33.662 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 :: 8.798 HA :: 4.712 HB2 :: 2.092 HB3 :: 1.943 HG2 :: 2.291 HG3 :: 2.433 HE21 :: 7.558 HE22 :: 6.870 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 :: 120.252 NE2 :: 111.733 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.577 CA :: 61.752 CB :: 32.487 CG1 :: 20.905 CG2 :: 20.803 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 :: 8.911 HA :: 4.662 HB :: 2.002 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.785 HG22 :: 0.785 HG23 :: 0.785 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.139 Ave N Shift Values>> N :: 121.02(4.96) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.39 R 0.12 G 0.02 M 0.02 A 0.01 C Shift Assignments>> C :: 173.715 CA :: 52.709 CB :: 35.198 CG :: 24.454 CD :: 29.316 CE :: 42.201 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.351 HA :: 5.153 HB2 :: 1.976 HB3 :: 1.692 HG2 :: 1.402 HG3 :: 1.471 HD2 :: 1.731 HD3 :: 1.731 HE2 :: 2.991 HE3 :: 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 :: 128.742 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.355 CA :: 63.350 CB :: 32.624 CG :: 27.661 CD :: 51.451 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 :: 4.634 HB2 :: 2.582 HB3 :: 1.995 HG2 :: 1.892 HG3 :: 2.171 HD2 :: 3.832 HD3 :: 3.832 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) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.27 C 0.12 L 0.1 F 0.07 Y 0.06 K 0.02 C Shift Assignments>> C :: 175.114 CA :: 53.200 CB :: 40.196 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 :: 8.373 HA :: 4.837 HB2 :: 3.092 HB3 :: 2.613 HD21 :: 7.039 HD22 :: 8.120 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 :: 122.749 ND2 :: 114.325 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.32 C 0.02 C Shift Assignments>> C :: 178.148 CA :: 53.741 CB :: 19.033 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.701 HA :: 4.193 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.309 Ave N Shift Values>> N :: 123.23(3.7) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.09 M 0.08 K 0.04 Q 0.01 HN Overlap>> 1.S69 1.S69 C Shift Assignments>> C :: 176.402 CA :: 57.941 CB :: 30.615 CG :: 36.620 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 :: 8.419 HA :: 4.191 HB2 :: 2.042 HB3 :: 2.042 HG2 :: 2.223 HG3 :: 2.223 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 :: 116.774 Ave N Shift Values>> N :: 120.68(3.68) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.19 R 0.16 C 0.1 K 0.1 F 0.04 N 0.03 Y 0.03 G 0.02 C Shift Assignments>> C :: 175.737 CA :: 53.657 CB :: 42.699 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 :: 7.713 HA :: 4.592 HB2 :: 2.663 HB3 :: 2.561 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 :: 117.766 Ave N Shift Values>> N :: 120.73(4.2) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.25 M 0.02 C Shift Assignments>> C :: 175.128 CA :: 57.063 CB :: 31.582 CG :: 24.938 CD :: 28.894 CE :: 41.963 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 :: 8.141 HA :: 3.874 HB2 :: 1.767 HB3 :: 1.622 HG2 :: 1.331 HG3 :: 1.331 HD2 :: 1.641 HD3 :: 1.589 HE2 :: 2.958 HE3 :: 2.958 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 :: 119.379 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.11 M 0.02 C Shift Assignments>> C :: 175.312 CA :: 56.835 CB :: 33.511 CG :: 24.802 CD :: 29.080 CE :: 41.470 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 :: 8.053 HA :: 3.941 HB2 :: 1.588 HB3 :: 1.684 HG2 :: 1.044 HG3 :: 1.183 HD2 :: 1.272 HD3 :: 1.452 HE2 :: 2.774 HE3 :: 2.741 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 :: 113.943 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E65 1.E65 C Shift Assignments>> C :: 173.397 CA :: 58.503 CB :: 64.715 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.367 HA :: 5.420 HB2 :: 4.146 HB3 :: 4.072 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.851 Ave N Shift Values>> N :: 116.3(3.95) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 171.045 CA :: 56.425 CB :: 41.408 CD1 :: 132.376 CD2 :: 132.376 CE1 :: 129.862 CE2 :: 129.862 CZ :: 129.024 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 :: 8.600 HA :: 5.172 HB2 :: 3.351 HB3 :: 2.724 HD1 :: 6.913 HD2 :: 6.913 HE1 :: 6.632 HE2 :: 6.632 HZ :: 6.331 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 :: 118.095 Ave N Shift Values>> N :: 120.69(4.18) 1.D71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.35 L 0.23 C 0.12 R 0.12 D 0.1 F 0.01 K 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 175.375 CA :: 52.024 CB :: 43.812 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.007 HA :: 5.955(S) HB2 :: 2.642 HB3 :: 2.422 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 :: 120.649 Ave N Shift Values>> N :: 120.73(4.2) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.21 L 0.13 R 0.05 C Shift Assignments>> C :: 175.482 CA :: 53.446 CB :: 45.233 CG :: 28.319 CD1 :: 26.337 CD2 :: 26.206 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 :: 9.179 HA :: 5.502 HB2 :: 1.698 HB3 :: 1.698 HG :: 1.691 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 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 :: 121.621 Ave N Shift Values>> N :: 121.98(4.07) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.591 CA :: 61.102 CB :: 39.877 CG1 :: 27.908 CG2 :: 18.015 CD1 :: 14.593 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 :: 9.161 HA :: 4.787 HB :: 1.809 HG12 :: 1.241 HG13 :: 1.452 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.424 Ave N Shift Values>> N :: 121.6(4.72) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.563 CA :: 56.291 CB :: 65.639 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.953 HA :: 5.201 HB2 :: 4.273 HB3 :: 3.902 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 :: 123.800 Ave N Shift Values>> N :: 116.3(3.95) 1.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.37 H 0.33 C 0.29 C Shift Assignments>> CA :: 58.487 CB :: 29.382 CD2 :: 119.769 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 :: 4.324 HB2 :: 3.222 HB3 :: 3.222 HD2 :: 7.067 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) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.18 C 0.16 Y 0.09 F 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 174.286 CA :: 53.446 CB :: 38.721 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 :: 8.198 HA :: 4.530 HB2 :: 2.882 HB3 :: 2.731 HD21 :: 6.849 HD22 :: 7.523 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 :: 113.684 ND2 :: 111.897 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.33 K 0.24 G 0.04 C Shift Assignments>> C :: 173.930 CA :: 55.570 CB :: 32.593 CG :: 26.264 CD :: 43.059 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 :: 7.673 HA :: 4.412 HB2 :: 1.531 HB3 :: 1.652 HG2 :: 1.190 HG3 :: 1.190 HD2 :: 2.979 HD3 :: 2.940 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 :: 119.463 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.665 CA :: 62.208 CB :: 69.868 CG2 :: 21.669 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 :: 8.301 HA :: 4.737 HB :: 3.582 HG21 :: 0.544 HG22 :: 0.544 HG23 :: 0.544 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 :: 118.898 Ave N Shift Values>> N :: 115.7(5.05) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 173.461 CA :: 56.291 CB :: 41.060 CD1 :: 132.850 CD2 :: 132.850 CE1 :: 117.811 CE2 :: 117.811 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 :: 9.194 HA :: 4.092 HB2 :: 2.832 HB3 :: 2.182 HD1 :: 6.862 HD2 :: 6.862 HE1 :: 6.634 HE2 :: 6.634 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 :: 127.020 Ave N Shift Values>> N :: 120.79(4.69) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.46 C 0.33 H 0.2 C Shift Assignments>> C :: 173.618 CA :: 54.746 CB :: 29.974 CD2 :: 125.867 CE1 :: 138.700 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 :: 8.673 HA :: 5.211 HB2 :: 3.085 HB3 :: 2.744 HD2 :: 6.803 HE1 :: 7.802 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.332 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 G 0.3 F 0.3 C Shift Assignments>> C :: 176.509 CA :: 56.572 CB :: 43.811 CD1 :: 132.742 CD2 :: 132.742 CE1 :: 129.755 CE2 :: 129.755 CZ :: 127.167 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 :: 8.773 HA :: 6.039 HB2 :: 2.235 HB3 :: 1.372(S) HD1 :: 6.883 HD2 :: 6.883 HE1 :: 6.805 HE2 :: 6.805 HZ :: 6.674 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.055 Ave N Shift Values>> N :: 120.69(4.18) 1.Q82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 M 0.37 E 0.12 Q 0.1 K 0.01 HN Overlap>> 1.E86 1.E86 C Shift Assignments>> C :: 174.285 CA :: 55.729 CB :: 32.799 CG :: 34.483 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.062 HA :: 4.762 HB2 :: 1.032(S) HB3 :: 1.093 HG2 :: 1.791 HG3 :: 1.953 HE21 :: 6.099 HE22 :: 6.005 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 :: 119.709 NE2 :: 108.847 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.1 C 0.06 L 0.04 C Shift Assignments>> C :: 177.599 CA :: 50.672 CB :: 20.922 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.896 HA :: 4.887 HB1 :: 1.842 HB2 :: 1.842 HB3 :: 1.842 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.962 Ave N Shift Values>> N :: 123.23(3.7) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 I 0.35 E 0.21 M 0.01 C Shift Assignments>> C :: 176.160 CA :: 59.645 CB :: 30.374 CG :: 38.236 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 :: 9.979 HA :: 3.910 HB2 :: 2.101 HB3 :: 2.072 HG2 :: 2.452 HG3 :: 2.053 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 :: 118.124 Ave N Shift Values>> N :: 120.68(3.68) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 R 0.11 C 0.11 K 0.1 N 0.05 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 175.504 CA :: 52.936 CB :: 42.415 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 :: 7.551 HA :: 4.524 HB2 :: 3.021 HB3 :: 2.973 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 :: 111.191 Ave N Shift Values>> N :: 120.73(4.2) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.33 E 0.26 K 0.02 M 0.01 HN Overlap>> 1.Q82 1.Q82 C Shift Assignments>> C :: 178.468 CA :: 60.277 CB :: 29.634 CG :: 37.114 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 :: 9.110 HA :: 4.132 HB2 :: 2.114 HB3 :: 2.114 HG2 :: 2.343 HG3 :: 2.343 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 :: 119.741 Ave N Shift Values>> N :: 120.68(3.68) 1.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.19 K 0.19 E 0.14 I 0.07 R 0.04 C Shift Assignments>> C :: 179.062 CA :: 59.135 CB :: 27.946 CG :: 34.511 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 :: 8.455 HA :: 4.232 HB2 :: 2.251 HB3 :: 2.144 HG2 :: 2.489 HG3 :: 2.489 HE21 :: 7.679 HE22 :: 6.922 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 :: 120.345 NE2 :: 112.725 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.18 F 0.13 D 0.12 C 0.11 Y 0.11 R 0.07 N 0.01 I 0.01 C Shift Assignments>> C :: 178.165 CA :: 56.555 CB :: 41.496 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.112 HA :: 4.787 HB2 :: 3.129 HB3 :: 2.798 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.354 Ave N Shift Values>> N :: 120.73(4.2) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 HN Overlap>> 1.L104 1.L104 C Shift Assignments>> C :: 175.208 CA :: 62.700 CB :: 38.388 CD1 :: 132.813 CD2 :: 132.813 CE1 :: 118.850 CE2 :: 118.850 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 :: 8.157 HA :: 4.012 HB2 :: 3.448 HB3 :: 3.092 HD1 :: 7.011 HD2 :: 7.011 HE1 :: 6.740 HE2 :: 6.740 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 :: 119.778 Ave N Shift Values>> N :: 120.79(4.69) 1.V90 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 :: 179.031 CA :: 66.054 CB :: 31.853 CG1 :: 22.708 CG2 :: 21.142 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 :: 7.562 HA :: 3.261 HB :: 2.151 HG11 :: 1.253 HG12 :: 1.253 HG13 :: 1.253 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 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 :: 117.451 Ave N Shift Values>> N :: 121.02(4.96) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 C 0.03 I 0.03 C Shift Assignments>> C :: 178.911 CA :: 55.115 CB :: 18.456 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.545 HA :: 3.156 HB1 :: 1.276 HB2 :: 1.276 HB3 :: 1.276 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.248 Ave N Shift Values>> N :: 123.23(3.7) 1.W92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 C 0.37 H 0.01 C Shift Assignments>> C :: 178.422 CA :: 61.559 CB :: 28.975 CD1 :: 128.409 CE3 :: 119.201 CZ2 :: 113.479 CZ3 :: 120.754 CH2 :: 123.646 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 :: 8.592 HA :: 3.872 HB2 :: 3.042 HB3 :: 2.631 HD1 :: 7.185 HE1 :: 9.746 HE3 :: 7.093 HZ2 :: 6.804 HZ3 :: 6.562 HH2 :: 6.535 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 :: 117.057 NE1 :: 129.105 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 179.537 CA :: 63.297 CB :: 35.578 CG1 :: 26.675 CG2 :: 17.305 CD1 :: 9.526 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 :: 8.138 HA :: 3.213 HB :: 1.412 HG12 :: 0.552 HG13 :: 0.640 HG21 :: 0.467 HG22 :: 0.467 HG23 :: 0.467 HD11 :: -0.098 HD12 :: -0.098 HD13 :: -0.098 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 :: 116.414 Ave N Shift Values>> N :: 121.6(4.72) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.257 CA :: 62.261 CB :: 62.942 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.790 HA :: 4.062 HB2 :: 3.707 HB3 :: 3.630 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 :: 117.660 Ave N Shift Values>> N :: 116.3(3.95) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.371 CA :: 65.826 CB :: 31.073 CG1 :: 20.997 CG2 :: 22.810 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 :: 8.223 HA :: 3.924 HB :: 1.734 HG11 :: 0.543 HG12 :: 0.543 HG13 :: 0.543 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 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 :: 121.215 Ave N Shift Values>> N :: 121.02(4.96) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.37 R 0.17 K 0.04 G 0.01 C Shift Assignments>> C :: 178.589 CA :: 58.503 CB :: 41.866 CG :: 27.286 CD1 :: 27.176 CD2 :: 24.850 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 :: 8.584 HA :: 3.863 HB2 :: 1.791 HB3 :: 1.171 HG :: 2.050 HD11 :: 0.512 HD12 :: 0.512 HD13 :: 0.512 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 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 :: 119.797 Ave N Shift Values>> N :: 121.98(4.07) 1.T97 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 :: 176.435 CA :: 66.413 CB :: 69.005 CG2 :: 21.054 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 :: 7.723 HA :: 3.835 HB :: 4.282 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.523 Ave N Shift Values>> N :: 115.7(5.05) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.16 N 0.16 E 0.14 F 0.1 D 0.05 M 0.03 I 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 177.805 CA :: 55.448 CB :: 37.525 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 :: 8.564 HA :: 4.392 HB2 :: 2.682 HB3 :: 2.885 HD21 :: 6.804 HD22 :: 7.550 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 :: 121.808 ND2 :: 111.252 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 177.143 CA :: 61.928 CB :: 63.824 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.840 HA :: 4.071 HB2 :: 3.680 HB3 :: 4.012 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.788 Ave N Shift Values>> N :: 116.3(3.95) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.2 G 0.01 M 0.01 C Shift Assignments>> C :: 177.518 CA :: 59.925 CB :: 32.264 CG :: 25.524 CD :: 29.141 CE :: 42.311 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 :: 7.836 HA :: 3.832 HB2 :: 2.040 HB3 :: 1.782 HG2 :: 1.473 HG3 :: 1.332 HD2 :: 1.771 HD3 :: 1.724 HE2 :: 3.133 HE3 :: 3.133 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 :: 119.599 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.17 K 0.09 Q 0.04 M 0.02 HN Overlap>> 1.F108 1.F108 C Shift Assignments>> C :: 179.271 CA :: 59.153 CB :: 29.346 CG :: 36.127 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 :: 7.934 HA :: 4.070 HB2 :: 2.111 HB3 :: 2.111 HG2 :: 2.391 HG3 :: 2.287 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 :: 118.220 Ave N Shift Values>> N :: 120.68(3.68) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.17 K 0.05 M 0.03 Q 0.01 C Shift Assignments>> C :: 178.374 CA :: 58.925 CB :: 29.922 CG :: 36.635 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 :: 8.295 HA :: 4.065 HB2 :: 2.114 HB3 :: 2.114 HG2 :: 2.382 HG3 :: 2.222 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 :: 120.548 Ave N Shift Values>> N :: 120.68(3.68) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 179.815 CA :: 54.465 CB :: 18.319 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.222 HA :: 4.174 HB1 :: 1.521 HB2 :: 1.521 HB3 :: 1.521 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.612 Ave N Shift Values>> N :: 123.23(3.7) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.32 R 0.1 G 0.02 HN Overlap>> 1.Y89 1.Y89 C Shift Assignments>> C :: 178.915 CA :: 57.309 CB :: 42.350 CG :: 26.963 CD1 :: 25.339 CD2 :: 24.081 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 :: 8.112 HA :: 4.122 HB2 :: 1.873 HB3 :: 1.672 HG :: 1.751 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.939 HD22 :: 0.939 HD23 :: 0.939 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 :: 119.697 Ave N Shift Values>> N :: 121.98(4.07) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.920 CA :: 64.210 CB :: 69.388 CG2 :: 21.708 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 :: 7.910 HA :: 4.163 HB :: 4.313 HG21 :: 1.256 HG22 :: 1.256 HG23 :: 1.256 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.064 Ave N Shift Values>> N :: 115.7(5.05) 1.M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.44 A 0.07 C Shift Assignments>> C :: 176.645 CA :: 56.484 CB :: 32.429 CG :: 32.082 CE :: 16.887 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 :: 7.943 HA :: 4.339 HB2 :: 2.063 HB3 :: 2.063 HG2 :: 2.611 HG3 :: 2.544 HE1 :: 2.041 HE2 :: 2.041 HE3 :: 2.041 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.582 Ave N Shift Values>> N :: 120.1(3.88) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.27 C 0.02 C Shift Assignments>> C :: 177.811 CA :: 53.165 CB :: 18.836 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.893 HA :: 4.201 HB1 :: 1.302 HB2 :: 1.302 HB3 :: 1.302 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.969 Ave N Shift Values>> N :: 123.23(3.7) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 175.999 CA :: 57.924 CB :: 39.463 CD1 :: 131.951 CD2 :: 131.951 CE1 :: 129.755 CE2 :: 129.755 CZ :: 131.392 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 :: 7.987 HA :: 4.656 HB2 :: 3.202 HB3 :: 3.071 HD1 :: 7.291 HD2 :: 7.291 HE1 :: 7.273 HE2 :: 7.273 HZ :: 7.334 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 :: 118.228 Ave N Shift Values>> N :: 120.69(4.18) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.381 CA :: 58.328 CB :: 64.155 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.107 HA :: 4.478 HB2 :: 3.863 HB3 :: 3.863 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 :: 117.111 Ave N Shift Values>> N :: 116.3(3.95) 1.G110 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 :: 171.584 CA :: 44.736 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.858 HA2 :: 4.092 HA3 :: 4.049 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.420 Ave N Shift Values>> N :: 109.91(4.29) 1.P111 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 :: 177.392 CA :: 63.244 CB :: 32.213 CG :: 27.168 CD :: 49.804 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 :: 4.474 HB2 :: 2.292 HB3 :: 1.971 HG2 :: 2.011 HG3 :: 2.011 HD2 :: 3.629 HD3 :: 3.629 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) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.660 CA :: 58.363 CB :: 63.991 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.521 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.418 Ave N Shift Values>> N :: 116.3(3.95) 1.S113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 108 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 1 C Shift Results: #Consistent: 477 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 733 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 1 N Shift Results: #Consistent: 111 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K12 HB3 = 0.720(S), Expected = 1.78, Std = 0.2600, ChiSquare = 4.5636e-05 1.K12 HG2 = -0.048(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.2306e-07 1.K12 HD2 = -0.672(A), Expected = 1.61, Std = 0.2500, ChiSquare = 6.9776e-20 1.K12 HD3 = 0.671(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.7265e-04 1.K12 HE2 = 1.662(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.2977e-10 1.K12 HE3 = 1.496(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.4998e-13 1.K12 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.L16 HD11 = -0.604(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.6017e-07 1.L16 HD12 = -0.604(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.6017e-07 1.L16 HD13 = -0.604(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.6017e-07 1.K19 HB3 = 0.304(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.3714e-08 1.K19 HG2 = -0.163(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.0982e-08 1.K19 HE2 = 1.979(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.9845e-06 1.K19 HE3 = 1.979(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.9845e-06 1.D71 HA = 5.955(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.4332e-05 1.F81 HB3 = 1.372(S), Expected = 2.97, Std = 0.3800, ChiSquare = 2.6078e-05 1.Q82 HB2 = 1.032(S), Expected = 2.05, Std = 0.2800, ChiSquare = 2.7721e-04