Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.22 L 0.18 D 0.17 F 0.12 Y 0.08 C 0.07 I 0.04 R 0.04 N 0.03 C Shift Assignments>> CA :: 41.527 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.769 HA3 :: 3.769 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.3 L 0.29 K 0.1 D 0.07 C 0.07 F 0.05 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 171.480 CA :: 42.842 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.873 HA3 :: 3.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 A 0.2 M 0.2 HN Overlap>> 1.R66 1.R66 C Shift Assignments>> C :: 172.083 CA :: 51.148 CB :: 29.939 CG :: 29.758 CE :: 14.807 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 :: 8.081 HA :: 4.700 HB2 :: 1.978 HB3 :: 1.882 HG2 :: 2.467 HG3 :: 2.551 HE1 :: 2.026 HE2 :: 2.026 HE3 :: 2.026 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 :: 120.459 Ave N Shift Values>> N :: 120.1(3.88) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 P 0.06 G 0.06 C Shift Assignments>> CA :: 60.959 CB :: 29.715 CG :: 25.107 CD :: 48.337 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 :: 4.339 HB2 :: 2.201 HB3 :: 1.795 HG2 :: 1.914 HG3 :: 1.914 HD2 :: 3.599 HD3 :: 3.744 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.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.35 M 0.05 Y 0.02 E 0.02 P 0.02 D 0.01 F 0.01 K 0.01 C Shift Assignments>> CA :: 50.956 CB :: 36.374 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 :: 8.435 HA :: 4.577 HB2 :: 2.757 HB3 :: 2.711 HD21 :: 7.543 HD22 :: 6.849 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 :: 118.341 ND2 :: 112.501 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.38 L 0.33 C 0.23 R 0.03 C Shift Assignments>> CA :: 54.013 CB :: 28.393 CG :: 24.872 CD :: 41.062 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>> HA :: 4.249 HB2 :: 1.690 HB3 :: 1.800 HG2 :: 1.548 HG3 :: 1.548 HD2 :: 3.120 HD3 :: 3.120 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) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.71 A 0.12 K 0.05 R 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 174.013 CA :: 54.251 CB :: 30.711 CG :: 22.717 CD :: 26.838 CE :: 39.860 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>> HA :: 4.194 HB2 :: 1.713 HB3 :: 1.713 HG2 :: 1.326 HG3 :: 1.326 HD2 :: 1.591 HD3 :: 1.591 HE2 :: 2.905 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) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 175.095 CA :: 50.020 CB :: 17.032 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.194 HA :: 4.279 HB1 :: 1.322 HB2 :: 1.322 HB3 :: 1.322 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.534 Ave N Shift Values>> N :: 123.23(3.7) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 171.928 CA :: 55.944 CB :: 61.770 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.193 HA :: 4.363 HB2 :: 3.759 HB3 :: 3.759 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 :: 115.426 Ave N Shift Values>> N :: 116.3(3.95) 1.R15 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.38 L 0.34 K 0.22 A 0.03 C Shift Assignments>> C :: 172.101 CA :: 53.244 CB :: 28.657 CG :: 23.781 CD :: 40.172 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 :: 7.640 HA :: 3.755 HB2 :: 0.792(S) HB3 :: 0.959 HG2 :: -0.040(S) HG3 :: 0.403(S) HD2 :: 1.290(A) HD3 :: 0.902(A) 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 :: 122.498 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB3 : 0.9958) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 N 0.36 G 0.2 D 0.02 Y 0.01 M 0.01 C Shift Assignments>> C :: 172.228 CA :: 48.662 CB :: 37.090 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 :: 7.380 HA :: 4.720 HB2 :: 3.300 HB3 :: 2.924 HD21 :: 6.765 HD22 :: 7.496 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 :: 119.449 ND2 :: 110.448 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.01 C 0.01 C Shift Assignments>> C :: 175.928 CA :: 54.022 CB :: 16.571 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.420 HA :: 4.108 HB1 :: 1.629 HB2 :: 1.629 HB3 :: 1.629 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.797 Ave N Shift Values>> N :: 123.23(3.7) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 Y 0.09 C Shift Assignments>> C :: 173.480 CA :: 57.108 CB :: 35.244 CD1 :: 130.116 CD2 :: 130.116 CE1 :: 115.241 CE2 :: 115.241 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 :: 7.723 HA :: 2.824 HB2 :: 2.073 HB3 :: 2.313 HD1 :: 5.992 HD2 :: 5.992 HE1 :: 6.386 HE2 :: 6.386 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 :: 115.609 Ave N Shift Values>> N :: 120.79(4.69) 1.Y19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 Y 0.19 C Shift Assignments>> C :: 174.317 CA :: 59.546 CB :: 35.712 CD1 :: 130.654 CD2 :: 130.654 CE1 :: 114.837 CE2 :: 114.837(A) 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 :: 7.567 HA :: 3.212 HB2 :: 3.034 HB3 :: 2.856 HD1 :: 5.921 HD2 :: 5.921 HE1 :: 6.162 HE2 :: 6.162 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 :: 117.722 Ave N Shift Values>> N :: 120.79(4.69) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 F 0.25 C Shift Assignments>> C :: 175.471 CA :: 60.422 CB :: 37.403 CD1 :: 129.818 CD2 :: 129.818 CE1 :: 128.707 CE2 :: 128.707 CZ :: 126.692 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 :: 7.322 HA :: 3.822 HB2 :: 3.226 HB3 :: 3.670 HD1 :: 7.493 HD2 :: 7.493 HE1 :: 7.002 HE2 :: 7.002 HZ :: 6.583 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 :: 114.669 Ave N Shift Values>> N :: 120.69(4.18) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 F 0.29 C Shift Assignments>> C :: 173.621 CA :: 58.606 CB :: 37.068 CD1 :: 130.263 CD2 :: 130.263 CE1 :: 129.009 CE2 :: 129.009 CZ :: 126.727 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 :: 3.657 HB2 :: 2.081 HB3 :: 2.571 HD1 :: 6.668 HD2 :: 6.668 HE1 :: 7.489 HE2 :: 7.489 HZ :: 7.172 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 :: 123.075 Ave N Shift Values>> N :: 120.69(4.18) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.725 CA :: 63.507 CB :: 27.830 CG1 :: 21.914 CG2 :: 20.499 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 :: 7.934 HA :: 2.965 HB :: 1.392 HG11 :: 0.459 HG12 :: 0.459 HG13 :: 0.459 HG21 :: 0.048 HG22 :: 0.048 HG23 :: 0.048 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 :: 118.518 Ave N Shift Values>> N :: 121.02(4.96) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 R 0.27 K 0.22 Q 0.14 M 0.02 E 0.01 C Shift Assignments>> C :: 176.127 CA :: 57.028 CB :: 27.077 CG :: 32.295 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 :: 7.918 HA :: 3.385 HB2 :: 1.944 HB3 :: 1.581 HG2 :: 2.077 HG3 :: 1.893 HE21 :: 7.575 HE22 :: 6.721 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 :: 116.004 NE2 :: 110.618 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.21 K 0.2 E 0.18 R 0.03 I 0.02 C Shift Assignments>> C :: 175.451 CA :: 56.102 CB :: 27.862 CG :: 34.999 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 :: 7.364 HA :: 3.948 HB2 :: 2.207 HB3 :: 2.207 HG2 :: 2.397 HG3 :: 2.256 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 :: 117.428 Ave N Shift Values>> N :: 120.68(3.68) 1.K25 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 C 0.4 L 0.02 R 0.01 C Shift Assignments>> C :: 174.983 CA :: 53.336 CB :: 29.970 CG :: 20.990 CD :: 25.456 CE :: 39.958 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 :: 7.408 HA :: 3.959 HB2 :: 1.432 HB3 :: 1.648 HG2 :: 0.912 HG3 :: 0.702 HD2 :: 1.212 HD3 :: 1.212 HE2 :: 2.442 HE3 :: 2.606 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 :: 117.209 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.22 C Shift Assignments>> C :: 171.743 CA :: 65.955 CB :: 33.296 CG1 :: 27.980 CG2 :: 14.177 CD1 :: 10.960 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 :: 7.218 HA :: 3.374 HB :: 1.828 HG12 :: 1.719 HG13 :: 0.502 HG21 :: 0.593 HG22 :: 0.593 HG23 :: 0.593 HD11 :: 0.425 HD12 :: 0.425 HD13 :: 0.425 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 :: 119.041 Ave N Shift Values>> N :: 121.6(4.72) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.66 C 0.31 P 0.01 C Shift Assignments>> C :: 177.172 CA :: 64.137 CB :: 28.587 CG :: 26.104 CD :: 47.079 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 :: 4.068 HB2 :: 1.795 HB3 :: 2.236 HG2 :: 1.837 HG3 :: 2.060 HD2 :: 3.452 HD3 :: 3.581 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.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.19 R 0.14 E 0.04 M 0.01 C Shift Assignments>> C :: 176.308 CA :: 56.333 CB :: 26.920 CG :: 33.556 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 :: 7.380 HA :: 3.959 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 2.162 HG3 :: 2.162 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 :: 118.219 Ave N Shift Values>> N :: 120.68(3.68) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 A 0.41 HN Overlap>> 1.V85 1.V85 C Shift Assignments>> C :: 177.162 CA :: 55.506 CB :: 38.410 CG :: 24.176 CD1 :: 24.549 CD2 :: 19.456 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 :: 7.984 HA :: 3.752 HB2 :: 1.058 HB3 :: 1.784 HG :: 1.638 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 HD21 :: 0.593 HD22 :: 0.593 HD23 :: 0.593 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 :: 119.851 Ave N Shift Values>> N :: 121.98(4.07) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 L 0.32 C 0.26 R 0.08 C Shift Assignments>> C :: 179.199 CA :: 57.038 CB :: 27.622 CG :: 26.096 CD :: 41.354 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 :: 8.352 HA :: 4.208 HB2 :: 1.800 HB3 :: 1.692 HG2 :: 1.683 HG3 :: 1.599 HD2 :: 3.175 HD3 :: 3.004 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.862 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.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 L 0.29 C 0.26 R 0.07 C Shift Assignments>> C :: 175.831 CA :: 57.037 CB :: 27.964 CG :: 25.684 CD :: 41.254 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 :: 7.861 HA :: 4.002 HB2 :: 2.020 HB3 :: 1.889 HG2 :: 1.559 HG3 :: 1.746 HD2 :: 3.154 HD3 :: 3.154 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 :: 121.690 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.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 L 0.31 C 0.2 R 0.09 G 0.01 C Shift Assignments>> C :: 173.922 CA :: 54.304 CB :: 28.431 CG :: 24.846 CD :: 42.100 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 :: 7.436 HA :: 4.210 HB2 :: 1.967 HB3 :: 1.848 HG2 :: 1.690 HG3 :: 1.798 HD2 :: 3.047 HD3 :: 3.019 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 :: 116.556 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.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 K 0.13 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 172.055 CA :: 42.665 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.746 HA2 :: 3.585 HA3 :: 4.147 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.158 Ave N Shift Values>> N :: 109.91(4.29) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 C 0.24 L 0.01 C Shift Assignments>> C :: 173.686 CA :: 50.055 CB :: 39.118 CG :: 24.740 CD1 :: 22.692 CD2 :: 20.531 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 :: 7.474 HA :: 4.442 HB2 :: 0.730 HB3 :: 1.206 HG :: 1.247 HD11 :: 0.301 HD12 :: 0.301 HD13 :: 0.301 HD21 :: 0.496 HD22 :: 0.496 HD23 :: 0.496 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 :: 121.887 Ave N Shift Values>> N :: 121.98(4.07) 1.P35 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.76 G 0.2 L 0.03 C Shift Assignments>> C :: 173.302 CA :: 60.098 CB :: 26.266(A) CG :: 25.128 CD :: 47.658 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 :: 4.528 HB2 :: 1.791 HB3 :: 2.148 HG2 :: 2.015 HG3 :: 1.960 HD2 :: 3.424 HD3 :: 3.705 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.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.15 A 0.05 C Shift Assignments>> C :: 172.094 CA :: 57.816 CB :: 31.709 CG1 :: 20.633 CG2 :: 18.076 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 :: 7.760 HA :: 4.158 HB :: 1.662 HG11 :: 0.608 HG12 :: 0.608 HG13 :: 0.608 HG21 :: 0.606 HG22 :: 0.606 HG23 :: 0.606 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 :: 118.382 Ave N Shift Values>> N :: 121.02(4.96) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 174.331 CA :: 50.652 CB :: 18.663 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.140 HA :: 4.331 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 :: 126.379 Ave N Shift Values>> N :: 123.23(3.7) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.29 L 0.04 R 0.04 A 0.03 C Shift Assignments>> C :: 174.180 CA :: 51.341 CB :: 30.340 CG :: 24.164 CD :: 41.085 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 :: 7.949 HA :: 4.579 HB2 :: 1.976 HB3 :: 1.673 HG2 :: 1.375 HG3 :: 1.604 HD2 :: 3.156 HD3 :: 3.156 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 :: 115.445 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.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 V 0.27 I 0.25 C Shift Assignments>> C :: 175.517 CA :: 65.156 CB :: 28.659 CG1 :: 17.963 CG2 :: 20.210 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 :: 8.463 HA :: 3.056 HB :: 1.590 HG11 :: 0.147 HG12 :: 0.147 HG13 :: 0.147 HG21 :: 0.342 HG22 :: 0.342 HG23 :: 0.342 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 :: 122.750 Ave N Shift Values>> N :: 121.02(4.96) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 C 0.01 C Shift Assignments>> C :: 176.983 CA :: 52.788 CB :: 16.271 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.441 HA :: 3.856 HB1 :: 1.273 HB2 :: 1.273 HB3 :: 1.273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.451 Ave N Shift Values>> N :: 123.23(3.7) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.28 C 0.13 L 0.08 Y 0.07 F 0.07 K 0.01 C Shift Assignments>> C :: 174.125 CA :: 53.246 CB :: 39.722 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 :: 7.050 HA :: 4.378 HB2 :: 2.778 HB3 :: 2.936 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 :: 112.484 Ave N Shift Values>> N :: 120.73(4.2) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 175.349 CA :: 50.138 CB :: 18.513 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.483 HA :: 4.341 HB1 :: 1.057 HB2 :: 1.057 HB3 :: 1.057 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.267 Ave N Shift Values>> N :: 123.23(3.7) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.37 C Shift Assignments>> C :: 172.982 CA :: 64.619 CB :: 34.566 CG1 :: 27.542 CG2 :: 14.462 CD1 :: 10.545 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 :: 7.317 HA :: 3.626 HB :: 1.935 HG12 :: 1.086 HG13 :: 1.659 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 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 :: 119.932 Ave N Shift Values>> N :: 121.6(4.72) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.69 G 0.19 P 0.11 C Shift Assignments>> C :: 175.621 CA :: 62.897 CB :: 28.854 CG :: 25.448 CD :: 48.020 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 :: 4.356 HB2 :: 1.082 HB3 :: 2.094 HG2 :: 1.764 HG3 :: 1.624 HD2 :: 3.369 HD3 :: 3.458 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.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Y 0.35 C Shift Assignments>> C :: 175.194 CA :: 56.877 CB :: 37.566 CD1 :: 130.437 CD2 :: 130.437 CE1 :: 116.221 CE2 :: 116.221 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 :: 7.321 HA :: 4.525 HB2 :: 2.791 HB3 :: 3.229 HD1 :: 7.091 HD2 :: 7.091 HE1 :: 6.756 HE2 :: 6.756 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 :: 112.510 Ave N Shift Values>> N :: 120.79(4.69) 1.C46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 Q 0.13 C 0.13 K 0.13 L 0.11 W 0.1 I 0.08 E 0.08 C Shift Assignments>> C :: 173.053 CA :: 57.766 CB :: 27.538 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.169 HA :: 4.961 HB2 :: 2.951 HB3 :: 3.170 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 :: 113.716 Ave N Shift Values>> N :: 119.95(4.79) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.055 CA :: 59.926 CB :: 60.280 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.608 HA :: 4.114 HB2 :: 3.850 HB3 :: 3.850 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 :: 116.665 Ave N Shift Values>> N :: 116.3(3.95) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 174.109 CA :: 59.329 CB :: 59.744 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.455 HA :: 4.256 HB2 :: 3.906 HB3 :: 3.860 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.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.22 Y 0.15 F 0.11 D 0.11 E 0.06 L 0.02 I 0.01 M 0.01 HN Overlap>> 1.Q82 1.Q82 C Shift Assignments>> C :: 176.701 CA :: 54.868 CB :: 38.187 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 :: 8.139 HA :: 4.408 HB2 :: 2.863 HB3 :: 2.833 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 :: 120.923 Ave N Shift Values>> N :: 120.73(4.2) 1.W50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 W 0.06 C Shift Assignments>> C :: 174.820 CA :: 56.913 CB :: 28.502 CD1 :: 125.289 CE3 :: 119.189 CZ2 :: 111.251 CZ3 :: 119.456 CH2 :: 121.358 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 :: 8.009 HA :: 3.782 HB2 :: 3.132 HB3 :: 3.198 HD1 :: 6.877 HE1 :: 9.850 HE3 :: 5.800 HZ2 :: 7.402 HZ3 :: 6.399 HH2 :: 7.026 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 :: 120.095 NE1 :: 127.565 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.43 C 0.01 C Shift Assignments>> C :: 176.677 CA :: 51.795 CB :: 15.850 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.409 HA :: 3.847 HB1 :: 1.434 HB2 :: 1.434 HB3 :: 1.434 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.610 Ave N Shift Values>> N :: 123.23(3.7) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 C 0.23 L 0.03 C Shift Assignments>> C :: 175.405 CA :: 52.576 CB :: 40.660 CG :: 24.332 CD1 :: 22.960 CD2 :: 20.402 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 :: 7.044 HA :: 4.103 HB2 :: 1.562 HB3 :: 1.697 HG :: 1.759 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.781 HD22 :: 0.781 HD23 :: 0.781 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 :: 115.008 Ave N Shift Values>> N :: 121.98(4.07) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 C 0.37 L 0.16 C Shift Assignments>> C :: 175.546 CA :: 52.985 CB :: 40.248 CG :: 24.439 CD1 :: 23.708 CD2 :: 21.552 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 :: 6.970 HA :: 4.029 HB2 :: 1.195 HB3 :: 1.126 HG :: 1.690 HD11 :: 0.571 HD12 :: 0.571 HD13 :: 0.571 HD21 :: 0.738 HD22 :: 0.738 HD23 :: 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 :: 121.104 Ave N Shift Values>> N :: 121.98(4.07) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.28 L 0.25 R 0.07 C Shift Assignments>> C :: 176.133 CA :: 53.616 CB :: 28.816 CG :: 25.743 CD :: 40.960 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 :: 8.913 HA :: 4.187 HB2 :: 1.662 HB3 :: 2.097 HG2 :: 1.710 HG3 :: 1.783 HD2 :: 3.221 HD3 :: 3.221 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 :: 122.291 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.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.22 K 0.18 R 0.12 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 176.923 CA :: 58.171 CB :: 26.729 CG :: 33.734 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 :: 9.036 HA :: 3.642 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 2.269 HG3 :: 2.269 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.495 Ave N Shift Values>> N :: 120.68(3.68) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.24 Q 0.2 R 0.12 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 176.570 CA :: 57.195 CB :: 26.376 CG :: 33.742 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 :: 9.602 HA :: 4.083 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 2.265 HG3 :: 2.265 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 :: 116.697 Ave N Shift Values>> N :: 120.68(3.68) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.24 K 0.19 Q 0.17 I 0.03 R 0.01 M 0.01 C Shift Assignments>> C :: 176.129 CA :: 55.943 CB :: 28.384 CG :: 35.368 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 :: 7.160 HA :: 4.186 HB2 :: 2.159 HB3 :: 2.262 HG2 :: 2.239 HG3 :: 2.239 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 :: 118.324 Ave N Shift Values>> N :: 120.68(3.68) 1.K58 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.77 K 0.15 R 0.03 M 0.01 HN Overlap>> 1.E59 1.E59 C Shift Assignments>> C :: 177.151 CA :: 57.879 CB :: 30.599 CG :: 24.215 CD :: 27.360 CE :: 39.658 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 :: 7.748 HA :: 3.992 HB2 :: 1.693 HB3 :: 1.693 HG2 :: 0.884 HG3 :: -0.313(S) HD2 :: 0.900 HD3 :: 1.016 HE2 :: 1.773(S) HE3 :: 1.626(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 :: 118.255 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) (HE3 > HB3 : 0.9974) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.19 R 0.17 E 0.02 M 0.01 HN Overlap>> 1.K58 1.K58 C Shift Assignments>> C :: 175.767 CA :: 56.345 CB :: 26.837 CG :: 33.271 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 :: 7.693 HA :: 4.131 HB2 :: 2.049 HB3 :: 1.932 HG2 :: 2.312 HG3 :: 2.312 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 :: 118.264 Ave N Shift Values>> N :: 120.68(3.68) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 L 0.09 A 0.05 R 0.03 M 0.01 C Shift Assignments>> C :: 176.862 CA :: 56.861 CB :: 29.300 CG :: 21.850 CD :: 26.813 CE :: 39.700 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 :: 7.491 HA :: 3.975 HB2 :: 1.495 HB3 :: 1.718 HG2 :: 0.905 HG3 :: 1.108 HD2 :: 1.507 HD3 :: 1.440 HE2 :: 2.722 HE3 :: 2.722 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 :: 118.776 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 Y 0.37 C Shift Assignments>> C :: 175.755 CA :: 59.098 CB :: 35.660 CD1 :: 131.277 CD2 :: 131.277 CE1 :: 116.378 CE2 :: 116.378 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 :: 7.222 HA :: 4.352 HB2 :: 3.192 HB3 :: 4.027 HD1 :: 7.378 HD2 :: 7.378 HE1 :: 6.934 HE2 :: 6.934 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 :: 119.178 Ave N Shift Values>> N :: 120.79(4.69) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.29 C 0.01 I 0.01 C Shift Assignments>> C :: 178.639 CA :: 53.282 CB :: 15.454 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.169 HA :: 4.139 HB1 :: 1.619 HB2 :: 1.619 HB3 :: 1.619 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.862 Ave N Shift Values>> N :: 123.23(3.7) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.22 K 0.2 R 0.17 E 0.03 M 0.01 HN Overlap>> 1.E67 1.E67 C Shift Assignments>> C :: 176.202 CA :: 56.831 CB :: 26.704 CG :: 33.337 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 :: 8.408 HA :: 4.058 HB2 :: 2.005 HB3 :: 2.097 HG2 :: 2.248 HG3 :: 2.248 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 :: 120.207 Ave N Shift Values>> N :: 120.68(3.68) 1.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.33 A 0.02 C Shift Assignments>> C :: 176.563 CA :: 57.072 CB :: 30.075 CG :: 30.096 CE :: 15.519 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 :: 7.349 HA :: 3.820 HB2 :: 2.356 HB3 :: 2.655 HG2 :: 1.879 HG3 :: 1.239 HE1 :: 1.999 HE2 :: 1.999 HE3 :: 1.999 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 :: 118.631 Ave N Shift Values>> N :: 120.1(3.88) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.29 C 0.01 I 0.01 C Shift Assignments>> C :: 177.339 CA :: 52.813 CB :: 15.177 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.633 HA :: 3.956 HB1 :: 1.510 HB2 :: 1.510 HB3 :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.235 Ave N Shift Values>> N :: 123.23(3.7) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.28 L 0.24 R 0.09 HN Overlap>> 1.M8 1.M8 C Shift Assignments>> C :: 177.329 CA :: 57.901 CB :: 28.074 CG :: 25.882 CD :: 41.254 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 :: 8.126 HA :: 3.974 HB2 :: 1.989 HB3 :: 1.888 HG2 :: 1.795 HG3 :: 1.536 HD2 :: 3.203 HD3 :: 3.203 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 :: 120.506 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.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.25 K 0.19 R 0.09 E 0.07 I 0.01 M 0.01 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 176.628 CA :: 56.825 CB :: 27.046 CG :: 34.077 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 :: 8.327 HA :: 3.957 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 2.335 HG3 :: 2.160 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 :: 120.183 Ave N Shift Values>> N :: 120.68(3.68) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 W 0.28 C Shift Assignments>> C :: 176.202 CA :: 59.262 CB :: 26.920 CD1 :: 124.992 CE3 :: 118.182 CZ2 :: 112.242 CZ3 :: 119.606 CH2 :: 122.281 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 :: 8.062 HA :: 4.175 HB2 :: 3.331 HB3 :: 3.454 HD1 :: 7.395 HE1 :: 10.169 HE3 :: 7.618 HZ2 :: 7.289 HZ3 :: 7.084 HH2 :: 7.075 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 :: 121.061 NE1 :: 130.041 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 L 0.31 C 0.25 R 0.06 C Shift Assignments>> C :: 176.602 CA :: 56.871 CB :: 27.909 CG :: 25.519 CD :: 41.254 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 :: 8.219 HA :: 3.637 HB2 :: 1.881 HB3 :: 2.021 HG2 :: 1.686 HG3 :: 1.911 HD2 :: 3.289 HD3 :: 3.210 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 :: 118.683 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.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.43 C 0.01 C Shift Assignments>> C :: 176.648 CA :: 51.800 CB :: 15.846 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.872 HA :: 4.035 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.009 Ave N Shift Values>> N :: 123.23(3.7) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.28 C 0.01 C Shift Assignments>> C :: 176.223 CA :: 50.779 CB :: 16.123 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.523 HA :: 4.106 HB1 :: 1.271 HB2 :: 1.271 HB3 :: 1.271 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.591 Ave N Shift Values>> N :: 123.23(3.7) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.37 K 0.18 M 0.02 L 0.01 P 0.01 C Shift Assignments>> C :: 174.514 CA :: 53.449 CB :: 26.137 CG :: 30.422 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 :: 7.430 HA :: 3.874 HB2 :: 1.616 HB3 :: 1.865 HG2 :: 1.813 HG3 :: 1.547 HE21 :: 6.592 HE22 :: 6.366 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 :: 116.078 NE2 :: 113.264 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 K 0.07 C 0.07 D 0.06 F 0.05 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.532 CA :: 43.020 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.840 HA2 :: 3.766 HA3 :: 3.809 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.344 Ave N Shift Values>> N :: 109.91(4.29) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 A 0.27 M 0.02 R 0.02 K 0.01 C Shift Assignments>> C :: 173.724 CA :: 53.475 CB :: 30.917 CG :: 22.222 CD :: 26.799 CE :: 39.644 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 :: 7.765 HA :: 4.222 HB2 :: 1.617 HB3 :: 1.714 HG2 :: 1.270 HG3 :: 1.326 HD2 :: 1.557 HD3 :: 1.557 HE2 :: 2.882 HE3 :: 2.882 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 :: 119.667 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.19 D 0.14 Y 0.02 F 0.02 L 0.01 C Shift Assignments>> C :: 172.253 CA :: 50.160 CB :: 38.778 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 :: 8.280 HA :: 4.754 HB2 :: 2.445 HB3 :: 2.641 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.738 Ave N Shift Values>> N :: 120.73(4.2) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 G 0.06 P 0.05 C Shift Assignments>> C :: 174.914 CA :: 61.128 CB :: 29.906 CG :: 24.777 CD :: 48.349 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 :: 4.358 HB2 :: 2.159 HB3 :: 1.894 HG2 :: 1.933 HG3 :: 1.933 HD2 :: 3.704 HD3 :: 3.753 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.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 K 0.2 R 0.13 D 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 169.655 CA :: 42.226 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.264 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 :: 108.737 Ave N Shift Values>> N :: 109.91(4.29) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.76 G 0.22 P 0.01 C Shift Assignments>> CA :: 61.139 CB :: 29.979 CG :: 24.892 CD :: 47.457 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 :: 4.357 HB2 :: 2.212 HB3 :: 1.884 HG2 :: 1.934 HG3 :: 1.934 HD2 :: 3.548 HD3 :: 3.548 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.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.504 CA :: 56.391 CB :: 61.206 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.373 HA :: 4.333 HB2 :: 3.790 HB3 :: 3.790 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 :: 115.672 Ave N Shift Values>> N :: 116.3(3.95) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.27 K 0.24 R 0.08 E 0.06 M 0.02 C Shift Assignments>> C :: 174.146 CA :: 54.374 CB :: 27.909 CG :: 33.875 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 :: 8.309 HA :: 4.213 HB2 :: 1.863 HB3 :: 1.975 HG2 :: 2.184 HG3 :: 2.184 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 :: 122.342 Ave N Shift Values>> N :: 120.68(3.68) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 A 0.17 R 0.04 K 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 174.161 CA :: 54.172 CB :: 30.628 CG :: 22.469 CD :: 26.673 CE :: 39.841 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 :: 8.167 HA :: 4.208 HB2 :: 1.665 HB3 :: 1.750 HG2 :: 1.334 HG3 :: 1.393 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.918 HE3 :: 2.918 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 :: 121.453 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.34 K 0.17 Q 0.04 M 0.03 P 0.03 HN Overlap>> 1.D49 1.D49 C Shift Assignments>> C :: 173.366 CA :: 53.282 CB :: 27.167 CG :: 31.484 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 :: 8.217 HA :: 4.214 HB2 :: 1.887 HB3 :: 1.887 HG2 :: 2.276 HG3 :: 2.276 HE21 :: 6.781 HE22 :: 7.456 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 :: 120.867 NE2 :: 112.370 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 A 0.37 L 0.03 R 0.02 M 0.01 K 0.01 C Shift Assignments>> C :: 172.059 CA :: 52.078 CB :: 30.052 CG :: 22.257 CD :: 26.981 CE :: 39.881 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 :: 8.263 HA :: 4.479 HB2 :: 1.636 HB3 :: 1.743 HG2 :: 1.374 HG3 :: 1.420 HD2 :: 1.600 HD3 :: 1.600 HE2 :: 2.911 HE3 :: 2.911 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 :: 124.097 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 G 0.06 P 0.03 C Shift Assignments>> C :: 174.111 CA :: 60.634 CB :: 29.730 CG :: 24.900 CD :: 48.329 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 :: 4.318 HB2 :: 1.642 HB3 :: 2.124 HG2 :: 1.919 HG3 :: 1.919 HD2 :: 3.741 HD3 :: 3.545 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.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.1 I 0.06 HN Overlap>> 1.L29 1.L29 C Shift Assignments>> C :: 173.513 CA :: 59.830 CB :: 30.662 CG1 :: 18.205 CG2 :: 18.835 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 :: 8.054 HA :: 3.955 HB :: 1.882 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 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 :: 119.763 Ave N Shift Values>> N :: 121.02(4.96) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 F 0.21 C Shift Assignments>> C :: 173.379 CA :: 55.062 CB :: 37.555 CD1 :: 129.304 CD2 :: 129.304 CE1 :: 129.304 CE2 :: 129.304 CZ :: 127.408 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 :: 8.276 HA :: 4.664 HB2 :: 2.930 HB3 :: 3.065 HD1 :: 7.174 HD2 :: 7.174 HE1 :: 7.244 HE2 :: 7.244 HZ :: 7.176 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 :: 123.672 Ave N Shift Values>> N :: 120.69(4.18) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.49 C 0.27 S 0.17 A 0.05 C Shift Assignments>> C :: 171.649 CA :: 59.065 CB :: 67.656 CG2 :: 19.086 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 :: 8.040 HA :: 4.283 HB :: 4.114 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 116.035 Ave N Shift Values>> N :: 115.7(5.05) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 172.132 CA :: 55.944 CB :: 61.371 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.176 HA :: 4.377 HB2 :: 3.783 HB3 :: 3.783 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 :: 117.609 Ave N Shift Values>> N :: 116.3(3.95) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 K 0.19 R 0.14 D 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 169.363 CA :: 42.261 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.165 HA2 :: 4.057 HA3 :: 4.057 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.330 Ave N Shift Values>> N :: 109.91(4.29) 1.P90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 171.589 CA :: 55.979 CB :: 61.453 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.377 HB2 :: 3.794 HB3 :: 3.794 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.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.21 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 176.697 CA :: 43.918 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.956 HA2 :: 3.674 HA3 :: 3.714 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.476 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 88 #Clerical: 0 #Suspicious: 1 #Anomalous: 2 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 84 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 2 C Shift Results: #Consistent: 381 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent: 584 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 2 N Shift Results: #Consistent: 80 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R15 HB2 = 0.792(S), Expected = 1.79, Std = 0.2800, ChiSquare = 3.6485e-04 1.R15 HG2 = -0.040(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.9732e-09 1.R15 HG3 = 0.403(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.3050e-05 1.R15 HD2 = 1.290(A), Expected = 3.13, Std = 0.2300, ChiSquare = 1.2442e-15 1.R15 HD3 = 0.902(A), Expected = 3.13, Std = 0.2200, ChiSquare = 4.1815e-24 1.R15 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.Y19 CE2 = 114.837(A), Expected = 117.91, Std = 2.6000, ChiSquare = 2.3724e-01 1.K25 Typing: Mistyped 1.P35 Typing: Mistyped 1.P35 CB = 26.266(A), Expected = 31.81, Std = 1.5400, ChiSquare = 3.1822e-04 1.K58 HG3 = -0.313(S), Expected = 1.37, Std = 0.2900, ChiSquare = 6.4965e-09 1.K58 HE2 = 1.773(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.2512e-09 1.K58 HE3 = 1.626(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.0307e-11 1.K58 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K58 SRO Rule Break>> HE3 > HB3 : 0.997380484610347