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>> R 0.37 L 0.27 G 0.09 C 0.08 D 0.04 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> CA :: 43.45 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.042 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 176.7 CA :: 63.09 CB :: 32.4 CG :: 27.12 CD :: 49.72 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 :: 4.5 HB2 :: 2.355 HB3 :: 1.985 HG3 :: 2.064 HD2 :: 3.671 HD3 :: 3.59 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.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.1 K 0.09 C Shift Assignments>> C :: 176.5 CA :: 56.2 CB :: 31.4 CG :: 27.2 CD :: 43.7 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 :: 8.663 HA :: 4.452 HB2 :: 2.34 HB3 :: 1.88 HG2 :: 1.776 HD2 :: 3.298 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 :: 122.1 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.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 G 0.33 R 0.23 C Shift Assignments>> C :: 175.839 CA :: 56 CB :: 32.2 CG :: 26.85 CD :: 44.8 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 :: 8.895 HA :: 4.492 HB2 :: 1.96 HB3 :: 1.73 HG2 :: 1.755 HD2 :: 3.305 HD3 :: 3.172 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 :: 124.278 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.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.3 CA :: 61.3 CB :: 70.5 CG2 :: 21.3 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 :: 8.387 HA :: 4.475 HB :: 4.12 HG21 :: 1.19 HG22 :: 1.19 HG23 :: 1.19 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 :: 116.4 Ave N Shift Values>> N :: 115.7(5.05) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.21 G 0.16 K 0.13 C Shift Assignments>> C :: 174.5 CA :: 55.75 CB :: 33.8 CG :: 28 CD :: 43.86 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 :: 8.725 HA :: 4.585 HB2 :: 1.57 HG2 :: 1.365 HD2 :: 2.995 HD3 :: 2.91 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 :: 122.5 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.T7 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 :: 172.73 CA :: 64.1 CB :: 69.15 CG2 :: 20.6 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 :: 7.82 HA :: 3.99 HB :: 3.543 HG21 :: 0.57 HG22 :: 0.57 HG23 :: 0.57 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.603 Ave N Shift Values>> N :: 115.7(5.05) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.09 C Shift Assignments>> C :: 174.6 CA :: 61.07 CB :: 69.2 CG2 :: 21.76 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 :: 8.424 HA :: 4.355 HB :: 4.005 HG21 :: 1.189 HG22 :: 1.189 HG23 :: 1.189 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 115.7(5.05) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 176.621 CA :: 58.23 CB :: 40.43 CD1 :: 131.3 CD2 :: 131.3 CE1 :: 131.3 CE2 :: 131.3 CZ :: 129.2 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 :: 8.745 HA :: 4.798 HB2 :: 3.185 HB3 :: 2.84 HD1 :: 7.394 HD2 :: 7.394 HE1 :: 7.51 HE2 :: 7.51 HZ :: 7.63 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 :: 108.529 Ave N Shift Values>> N :: 120.69(4.18) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.776 CA :: 60.48 CB :: 70.85 CG2 :: 21.78 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 :: 8.993 HA :: 4.575 HB :: 4.81 HG21 :: 1.355 HG22 :: 1.355 HG23 :: 1.355 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 :: 113.49 Ave N Shift Values>> N :: 115.7(5.05) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.9 CA :: 62 CB :: 62 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.217 HA :: 4.192 HB2 :: 4 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 :: 116.5 Ave N Shift Values>> N :: 116.3(3.95) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.083 CA :: 61.4 CB :: 62.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.32 HA :: 4.316 HB2 :: 3.899 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 :: 117.28 Ave N Shift Values>> N :: 116.3(3.95) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.18 K 0.15 I 0.13 Q 0.13 R 0.02 C Shift Assignments>> C :: 177.631 CA :: 59.26 CB :: 27.7 CG :: 35.09 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 :: 7.774 HA :: 3.95 HB2 :: 1.628 HB3 :: 2.735 HG2 :: 2.716 HG3 :: 2.39 HE21 :: 6.745 HE22 :: 7.63 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 :: 122.72 NE2 :: 110.95 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 176.96 CA :: 64.5 CB :: 37.5 CG1 :: 28.8 CG2 :: 17.7 CD1 :: 12.7 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 :: 8.316 HA :: 3.244 HB :: 1.845 HG12 :: 1.21 HG13 :: 1.675 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.93 Ave N Shift Values>> N :: 121.6(4.72) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 I 0.1 C 0.06 V 0.01 C Shift Assignments>> C :: 181 CA :: 55.2 CB :: 17.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.864 HA :: 4.1 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 123.23(3.7) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.13 K 0.08 Q 0.05 C Shift Assignments>> C :: 179.3 CA :: 59.21 CB :: 30.1 CG :: 35.9 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 :: 7.588 HA :: 4.165 HB2 :: 2.112 HB3 :: 2.03 HG2 :: 2.29 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 :: 118.3 Ave N Shift Values>> N :: 120.68(3.68) 1.L17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 V 0.05 L 0.05 HN Overlap>> 1.R25 1.R25 C Shift Assignments>> C :: 178.2 CA :: 59.4 CB :: 37.6 CG :: 26.2 CD1 :: 22.7 CD2 :: 23.1 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 :: 8.49 HA :: 3.515 HB2 :: 0.67 HB3 :: -1.02(S) HG :: 1.077 HD11 :: -0.83(S) HD12 :: -0.83(S) HD13 :: -0.83(S) HD21 :: 0.435 HD22 :: 0.435 HD23 :: 0.435 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124 Ave N Shift Values>> N :: 121.98(4.07) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.24 K 0.17 Q 0.15 I 0.09 R 0.01 C Shift Assignments>> C :: 179.677 CA :: 59.4 CB :: 29.2 CG :: 34.9 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.594 HA :: 4.32 HB2 :: 2.19 HB3 :: 2.035 HG2 :: 2.49 HG3 :: 2.4 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 :: 118.19 Ave N Shift Values>> N :: 120.68(3.68) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.23 E 0.1 R 0.07 I 0.03 C Shift Assignments>> C :: 179.657 CA :: 59 CB :: 28.2 CG :: 33.9 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 :: 7.732 HA :: 4.075 HB2 :: 2.118 HB3 :: 2.25 HG2 :: 2.41 HE21 :: 7.405 HE22 :: 6.8 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 :: 118.2 NE2 :: 112.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.4 H 0.06 HN Overlap>> 1.H64 1.H64 C Shift Assignments>> C :: 178.528 CA :: 61.13 CB :: 30.1 CD2 :: 121.8 CE1 :: 128.7 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 :: 8.287 HA :: 4.28 HB2 :: 3.382 HB3 :: 3.215 HD2 :: 7.138 HE1 :: 7.031 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 :: 118.6 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.3 C Shift Assignments>> C :: 177.6 CA :: 61.7 CB :: 39.2 CD1 :: 132.5 CD2 :: 132.5 CE1 :: 130.6 CE2 :: 130.6 CZ :: 128.2 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.241 HA :: 4.396 HB2 :: 3.035 HB3 :: 3.322 HD1 :: 6.91 HD2 :: 6.91 HE1 :: 7.075 HE2 :: 7.075 HZ :: 6.69 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.3 Ave N Shift Values>> N :: 120.69(4.18) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 R 0.06 C Shift Assignments>> C :: 179.08 CA :: 57 CB :: 41.9 CG :: 26.86 CD1 :: 25.2 CD2 :: 23 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 :: 7.911 HA :: 4.026 HB2 :: 1.944 HB3 :: 1.618 HG :: 2.01 HD11 :: 1 HD12 :: 1 HD13 :: 1 HD21 :: 0.968 HD22 :: 0.968 HD23 :: 0.968 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.107 Ave N Shift Values>> N :: 121.98(4.07) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.26 K 0.25 E 0.12 R 0.06 I 0.01 C Shift Assignments>> C :: 176.9 CA :: 56.55 CB :: 28.8 CG :: 33.94 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 :: 7.41 HA :: 4.232 HB2 :: 2.204 HB3 :: 2.306 HG2 :: 2.559 HG3 :: 2.409 HE21 :: 6.728 HE22 :: 7.325 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 :: 116.9 NE2 :: 111.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 173.273 CA :: 47.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.525 HA2 :: 4.09 HA3 :: 3.864 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.611 Ave N Shift Values>> N :: 109.91(4.29) 1.R25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.38 G 0.13 K 0.05 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 174.045 CA :: 57.9 CB :: 30.6 CG :: 27.2 CD :: 43.85 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 :: 8.485 HA :: 3.753 HB2 :: 1.345 HB3 :: 1.136 HG2 :: 1.15 HG3 :: 0.228(S) HD2 :: 2.655 HD3 :: 2.606 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 :: 124.012 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.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 175.7 CA :: 56.95 CB :: 40.37 CD1 :: 133.5 CD2 :: 133.5 CE1 :: 117.7 CE2 :: 117.7 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 :: 4.663 HB2 :: 3.119 HB3 :: 2.712 HD1 :: 7.225 HD2 :: 7.225 HE1 :: 6.859 HE2 :: 6.859 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 :: 114.9 Ave N Shift Values>> N :: 120.79(4.69) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.23 G 0.22 R 0.09 A 0.03 C Shift Assignments>> C :: 177.03 CA :: 54.6 CB :: 44.1 CG :: 26.7 CD1 :: 26.9 CD2 :: 23.1 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 :: 9.005 HA :: 4.245 HB2 :: 1.686 HB3 :: 1.145 HG :: 0.695 HD11 :: 0.484 HD12 :: 0.484 HD13 :: 0.484 HD21 :: 0.097 HD22 :: 0.097 HD23 :: 0.097 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.94 Ave N Shift Values>> N :: 121.98(4.07) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 174.492 CA :: 59.66 CB :: 71 CG2 :: 22.3 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.996 HA :: 4.55 HB :: 4.525 HG21 :: 1.33 HG22 :: 1.33 HG23 :: 1.33 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.583 Ave N Shift Values>> N :: 115.7(5.05) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 A 0.14 C 0.11 C Shift Assignments>> CA :: 57.124 CB :: 15.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.263 HA :: 4.309 HB1 :: 1.574 HB2 :: 1.574 HB3 :: 1.574 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.8 Ave N Shift Values>> N :: 123.23(3.7) 1.P30 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 :: 179.314 CA :: 65.81 CB :: 31.2 CG :: 28.4 CD :: 50.3 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 :: 4.409 HB2 :: 1.823 HB3 :: 2.365 HG2 :: 2.095 HG3 :: 2.005 HD2 :: 3.868 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.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.33 G 0.21 K 0.04 C Shift Assignments>> C :: 178.424 CA :: 59.44 CB :: 31.3 CG :: 28.35 CD :: 44.14 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 :: 7.059 HA :: 4.185 HB2 :: 1.79 HG2 :: 1.85 HG3 :: 1.55 HD2 :: 3.413 HD3 :: 3.2 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 :: 118.075 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.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 L 0.13 G 0.02 R 0.01 C Shift Assignments>> C :: 178.5 CA :: 58.255 CB :: 41.8 CG :: 23.4 CD1 :: 26.3 CD2 :: 23.3 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 :: 8.553 HA :: 3.893 HB2 :: 2.11 HB3 :: 1.44 HG :: 1.5 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 1.023 HD22 :: 1.023 HD23 :: 1.023 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 :: 120.3 Ave N Shift Values>> N :: 121.98(4.07) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 I 0.12 C 0.07 V 0.01 C Shift Assignments>> C :: 180.228 CA :: 55.37 CB :: 17.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.042 HA :: 3.98 HB1 :: 1.515 HB2 :: 1.515 HB3 :: 1.515 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.875 Ave N Shift Values>> N :: 123.23(3.7) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.16 L 0.15 Y 0.12 C 0.12 D 0.08 R 0.08 I 0.02 HN Overlap>> 1.Q63 1.Q63 1.Q60 1.Q60 C Shift Assignments>> C :: 178.3 CA :: 57.378 CB :: 41.52 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 :: 7.973 HA :: 4.42 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119 Ave N Shift Values>> N :: 120.73(4.2) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.36 R 0.03 G 0.02 C Shift Assignments>> C :: 178.491 CA :: 58.02 CB :: 42.45 CG :: 27.18 CD1 :: 23.7 CD2 :: 23.8 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 :: 8.401 HA :: 3.87 HB2 :: 1.613 HB3 :: 1.327 HG :: 1.39 HD11 :: 0.408 HD12 :: 0.408 HD13 :: 0.408 HD21 :: 0.34 HD22 :: 0.34 HD23 :: 0.34 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 :: 120.012 Ave N Shift Values>> N :: 121.98(4.07) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.617 CA :: 62.3 CB :: 62.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.11 HA :: 4.031 HB2 :: 3.919 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.7 Ave N Shift Values>> N :: 116.3(3.95) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 C 0.06 I 0.06 V 0.01 C Shift Assignments>> C :: 180.9 CA :: 54.95 CB :: 18.31 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.593 HA :: 4.22 HB1 :: 1.57 HB2 :: 1.57 HB3 :: 1.57 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.6 Ave N Shift Values>> N :: 123.23(3.7) 1.K38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.17 C Shift Assignments>> C :: 178.5 CA :: 59.2 CB :: 32.9 CG :: 25.3 CD :: 29.1 CE :: 42 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 :: 8.276 HA :: 4.045 HB2 :: 1.973 HB3 :: 1.86 HG2 :: 1.534 HG3 :: 1.502 HD2 :: 1.635 HZ1 :: 3(U) HZ2 :: 3(U) HZ3 :: 3(U) 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 :: 118.9 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.24 R 0.16 G 0.03 A 0.03 C Shift Assignments>> C :: 175.6 CA :: 54.6 CB :: 42.7 CG :: 27.15 CD1 :: 26.7 CD2 :: 23.2 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 :: 7.895 HA :: 4.315 HB2 :: 1.67 HB3 :: 1.5 HG :: 1.793 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 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 :: 115.5 Ave N Shift Values>> N :: 121.98(4.07) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 I 0.01 C Shift Assignments>> C :: 176.1 CA :: 53 CB :: 16.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.829 HA :: 4.071 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 123.23(3.7) 1.L41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 A 0.16 G 0.06 L 0.03 C Shift Assignments>> C :: 176.8 CA :: 52.42 CB :: 48.7(S) CG :: 26.71 CD1 :: 23.5 CD2 :: 26 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 :: 7.928 HA :: 4.845 HB2 :: 1.585 HB3 :: 1.322 HG :: 0.785 HD11 :: 1.077 HD12 :: 1.077 HD13 :: 1.077 HD21 :: 1.655 HD22 :: 1.655 HD23 :: 1.655 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 :: 118.1 Ave N Shift Values>> N :: 121.98(4.07) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 175.061 CA :: 45.12 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.793 HA2 :: 4.25 HA3 :: 4 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.12 Ave N Shift Values>> N :: 109.91(4.29) 1.T43 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 :: 177.614 CA :: 65.4 CB :: 68.3 CG2 :: 22.2 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 :: 8.621 HA :: 4.03 HB :: 4.175 HG21 :: 1.393 HG22 :: 1.393 HG23 :: 1.393 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.971 Ave N Shift Values>> N :: 115.7(5.05) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 I 0.14 C 0.08 V 0.02 C Shift Assignments>> C :: 179.744 CA :: 55.55 CB :: 18 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.756 HA :: 4.134 HB1 :: 1.475 HB2 :: 1.475 HB3 :: 1.475 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.919 Ave N Shift Values>> N :: 123.23(3.7) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.32 E 0.25 K 0.04 Q 0.01 C Shift Assignments>> C :: 179.3 CA :: 60.4 CB :: 29 CG :: 36.6 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 :: 7.336 HA :: 4.253 HB2 :: 2.79 HB3 :: 2.12 HG2 :: 2.935 HG3 :: 2.7 HE21 :: 7.775 HE22 :: 6.97 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 :: 116.7 NE2 :: 115.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.3 CA :: 67.3 CB :: 32 CG1 :: 23 CG2 :: 23.7 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 :: 7.585 HA :: 3.695 HB :: 2.069 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 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 :: 119.5 Ave N Shift Values>> N :: 121.02(4.96) 1.K47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.15 C Shift Assignments>> C :: 180.356 CA :: 60.6 CB :: 33 CG :: 25.4 CD :: 29.8 CE :: 41.65 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 :: 8.695 HA :: 3.988 HB2 :: 2.027 HB3 :: 1.979 HG2 :: 1.701 HG3 :: 1.455 HD2 :: 1.742 HZ1 :: 2.99(U) HZ2 :: 2.99(U) HZ3 :: 2.99(U) 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 :: 119.986 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.5 CA :: 63.23 CB :: 36.9 CG1 :: 29.9 CG2 :: 19.7 CD1 :: 11.7 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 :: 8.447 HA :: 3.858 HB :: 2.352 HG12 :: 1.695 HG13 :: 1.44 HG21 :: 1.085 HG22 :: 1.085 HG23 :: 1.085 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 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 :: 120.6 Ave N Shift Values>> N :: 121.6(4.72) 1.W49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.84 W 0.15 C Shift Assignments>> C :: 180.437 CA :: 62.7 CB :: 28.454 CD1 :: 121.3 CE3 :: 120.4 CZ2 :: 113.7 CZ3 :: 123.3 CH2 :: 123.1 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 :: 8.354 HA :: 4.82 HB2 :: 3.33 HB3 :: 3.48 HD1 :: 7.02 HE1 :: 9.833 HE3 :: 5.735 HZ2 :: 7.16 HZ3 :: 5.322 HH2 :: 6.435 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 :: 123.7 NE1 :: 109.2(S) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 C Shift Assignments>> C :: 177.2 CA :: 63.3 CB :: 39.46 CD1 :: 132 CD2 :: 132 CE1 :: 132 CE2 :: 132 CZ :: 129.1 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 :: 8.752 HA :: 3.831 HB2 :: 3.498 HB3 :: 3.15 HD1 :: 7.826 HD2 :: 7.826 HE1 :: 7.524 HE2 :: 7.524 HZ :: 7.135 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 :: 119.2 Ave N Shift Values>> N :: 120.69(4.18) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.36 R 0.05 G 0.01 C Shift Assignments>> C :: 179.9 CA :: 60.75 CB :: 33.9 CG :: 23.5 CD :: 29.9 CE :: 41.9 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 :: 7.877 HA :: 3.905 HB2 :: 2.185 HB3 :: 2.004 HG2 :: 1.4 HG3 :: 0.995 HD2 :: 1.72 HD3 :: 1.54 HE2 :: 2.988 HE3 :: 2.59 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 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.24 Y 0.21 F 0.15 N 0.13 D 0.08 E 0.08 I 0.03 L 0.02 C Shift Assignments>> C :: 177.831 CA :: 55.9 CB :: 38.25 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 :: 8.925 HA :: 4.475 HB2 :: 2.857 HB3 :: 2.565 HD21 :: 9.022(S) HD22 :: 8.28 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 :: 118.9 ND2 :: 123.2(S) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R53 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.38 C 0.31 K 0.29 C Shift Assignments>> C :: 178.7 CA :: 56.9 CB :: 27.7 CG :: 23.8 CD :: 40.6 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 :: 8.772 HA :: 3.478 HB2 :: 0.705(S) HB3 :: -0.35(A) HG2 :: -0.566(S) HG3 :: -0.238(A) HD2 :: 2.34(S) HD3 :: 2.115(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.1 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.R54 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 R 0.3 G 0.16 K 0.05 I 0.03 C Shift Assignments>> C :: 178.7 CA :: 61.08 CB :: 31.34 CD :: 43.5 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 :: 8.477 HA :: 4.126 HB2 :: 2.245 HG2 :: 1.925 HD2 :: 2.535 HD3 :: 1.379(S) 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 :: 119.9 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 > HB2 : 0.9950) (HD3 > HG2 : 0.9974) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.28 G 0.19 L 0.12 K 0.05 C Shift Assignments>> C :: 177.583 CA :: 57.75 CB :: 28.7 CG :: 26.4 CD :: 44.2 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 :: 7.377 HA :: 4.614 HB2 :: 2.264 HB3 :: 1.85 HG2 :: 2.02 HG3 :: 1.64 HD2 :: 3.569 HD3 :: 3.116 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 :: 120.8 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.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 G 0.18 K 0.02 C Shift Assignments>> C :: 178.21 CA :: 59.315 CB :: 30.5 CG :: 27.3 CD :: 44.04 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 :: 7.927 HA :: 3.99 HB2 :: 1.832 HB3 :: 1.745 HG2 :: 1.75 HG3 :: 1.495 HD2 :: 3.118 HD3 :: 3.055 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 :: 119.4 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.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 C 0.34 H 0.29 C Shift Assignments>> C :: 177.199 CA :: 59.4 CB :: 31.07 CD2 :: 119 CE1 :: 138.7 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 :: 8.106 HA :: 4.407 HB2 :: 3.445 HB3 :: 3.155 HD2 :: 7.11 HE1 :: 7.838 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 :: 118.15 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.21 G 0.01 C Shift Assignments>> C :: 178.4 CA :: 58.9 CB :: 32.6 CG :: 24.9 CD :: 29 CE :: 42.45 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 :: 8.335 HA :: 4.095 HB2 :: 2.218 HB3 :: 2.06 HG2 :: 1.665 HG3 :: 1.5 HD2 :: 1.845 HD3 :: 1.79 HZ1 :: 3.092(U) HZ2 :: 3.092(U) HZ3 :: 3.092(U) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.6 NZ :: 123.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 178.5 CA :: 64.2 CB :: 38.52 CG1 :: 28.73 CG2 :: 17.13 CD1 :: 13.74 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 :: 8.315 HA :: 3.888 HB :: 1.892 HG12 :: 1.673 HG13 :: 1.205 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 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 :: 119.3 Ave N Shift Values>> N :: 121.6(4.72) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.24 E 0.13 R 0.06 I 0.02 HN Overlap>> 1.D34 1.D34 C Shift Assignments>> C :: 177.8 CA :: 57.76 CB :: 28.4 CG :: 34.09 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 :: 8.082 HA :: 4.154 HB2 :: 2.092 HB3 :: 1.99 HG2 :: 2.525 HG3 :: 2.37 HE21 :: 7.513 HE22 :: 6.891 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 NE2 :: 111.95 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.5 CA :: 60.2 CB :: 63.352 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.143 HA :: 4.274 HB2 :: 3.919 HB3 :: 3.835 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 :: 115.9 Ave N Shift Values>> N :: 116.3(3.95) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.17 F 0.12 K 0.12 C 0.12 Y 0.11 N 0.06 R 0.02 I 0.01 C Shift Assignments>> C :: 176.984 CA :: 55.4 CB :: 40.85 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 :: 8.201 HA :: 4.574 HB2 :: 2.742 HB3 :: 2.66 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 :: 122.1 Ave N Shift Values>> N :: 120.73(4.2) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.26 K 0.25 E 0.13 R 0.05 HN Overlap>> 1.D34 1.D34 C Shift Assignments>> C :: 176.167 CA :: 56.48 CB :: 29.1 CG :: 33.9 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 :: 7.95 HA :: 4.23 HB2 :: 2.066 HB3 :: 1.99 HG2 :: 2.428 HG3 :: 2.358 HE21 :: 7.489 HE22 :: 6.865 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 :: 119.02 NE2 :: 112.36 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.35 C 0.25 HN Overlap>> 1.H20 1.H20 C Shift Assignments>> C :: 174.767 CA :: 55.8 CB :: 29.06 CD2 :: 120.0 CE1 :: 137 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.24 HA :: 4.657 HB2 :: 3.295 HB3 :: 3.19 HD2 :: 7.238 HE1 :: 8.385 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 :: 118.7 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.17 G 0.01 C Shift Assignments>> C :: 176.3 CA :: 56.56 CB :: 33.13 CG :: 24.61 CD :: 29.12 CE :: 42.16 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 :: 8.185 HA :: 4.33 HB2 :: 1.855 HB3 :: 1.774 HG2 :: 1.448 HD2 :: 1.699 HZ1 :: 3.018(U) HZ2 :: 3.018(U) HZ3 :: 3.018(U) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.3 NZ :: 124.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 K 0.12 C 0.11 F 0.09 N 0.08 Y 0.08 R 0.03 C Shift Assignments>> C :: 176.037 CA :: 54.66 CB :: 41.05 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 :: 8.502 HA :: 4.605 HB2 :: 2.726 HB3 :: 2.65 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 120.73(4.2) 1.Q67 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 E 0.14 R 0.03 C Shift Assignments>> CA :: 55.8 CB :: 29.7 CG :: 33.93 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 :: 8.295 HA :: 4.43 HB2 :: 2.21 HB3 :: 1.995 HG2 :: 2.38 HE21 :: 7.612 HE22 :: 6.868 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 :: 120.7 NE2 :: 112.8 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S68 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>> CA :: 60.35 CB :: 64.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.075 HA :: 4.27 HB2 :: 3.87 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 :: 123.329 Ave N Shift Values>> N :: 116.3(3.95) 2.DG1 Overall Status: Residue type DG not supported. 2.DC2 Overall Status: Residue type DC not supported. 2.DT3 Overall Status: Residue type DT not supported. 2.DC4 Overall Status: Residue type DC not supported. 2.DT5 Overall Status: Residue type DT not supported. 2.DA6 Overall Status: Residue type DA not supported. 2.DA7 Overall Status: Residue type DA not supported. 2.DT8 Overall Status: Residue type DT not supported. 2.DC9 Overall Status: Residue type DC not supported. 2.DC10 Overall Status: Residue type DC not supported. 2.DC11 Overall Status: Residue type DC not supported. 2.DC12 Overall Status: Residue type DC not supported. 2.DG13 Overall Status: Residue type DG not supported. 3.DC1 Overall Status: Residue type DC not supported. 3.DG2 Overall Status: Residue type DG not supported. 3.DA3 Overall Status: Residue type DA not supported. 3.DG4 Overall Status: Residue type DG not supported. 3.DA5 Overall Status: Residue type DA not supported. 3.DT6 Overall Status: Residue type DT not supported. 3.DT7 Overall Status: Residue type DT not supported. 3.DA8 Overall Status: Residue type DA not supported. 3.DG9 Overall Status: Residue type DG not supported. 3.DG10 Overall Status: Residue type DG not supported. 3.DG11 Overall Status: Residue type DG not supported. 3.DG12 Overall Status: Residue type DG not supported. 3.DC13 Overall Status: Residue type DC not supported. ########################################################################### Overall Results: #Consistent: 57 #Clerical: 4 #Suspicious: 6 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 68 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 67 #Suspicious: 1 C Shift Results: #Consistent: 309 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 453 #Duplicate: 0 #Unknown: 12 #Suspicious: 11 #Anomalous: 2 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.L17 HB3 = -1.02(S), Expected = 1.57, Std = 0.3600, ChiSquare = 6.2716e-13 1.L17 HD11 = -0.83(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.1054e-09 1.L17 HD12 = -0.83(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.1054e-09 1.L17 HD13 = -0.83(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.1054e-09 1.R25 HG3 = 0.228(S), Expected = 1.58, Std = 0.2700, ChiSquare = 5.5168e-07 1.K38 HZ1 = 3(U) 1.K38 HZ2 = 3(U) 1.K38 HZ3 = 3(U) 1.L41 CB = 48.7(S), Expected = 42.37, Std = 1.8600, ChiSquare = 6.6595e-04 1.K47 HZ1 = 2.99(U) 1.K47 HZ2 = 2.99(U) 1.K47 HZ3 = 2.99(U) 1.W49 NE1 = 109.2(S), Expected = 129.48, Std = 2.5600, ChiSquare = 2.3396e-15 1.N52 HD21 = 9.022(S), Expected = 7.27, Std = 0.5200, ChiSquare = 7.5378e-04 1.N52 ND2 = 123.2(S), Expected = 112.83, Std = 2.6000, ChiSquare = 6.6503e-05 1.R53 HB2 = 0.705(S), Expected = 1.79, Std = 0.2800, ChiSquare = 1.0662e-04 1.R53 HB3 = -0.35(A), Expected = 1.78, Std = 0.2800, ChiSquare = 2.8022e-14 1.R53 HG2 = -0.566(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.8932e-15 1.R53 HG3 = -0.238(A), Expected = 1.58, Std = 0.2700, ChiSquare = 1.6582e-11 1.R53 HD2 = 2.34(S), Expected = 3.13, Std = 0.2300, ChiSquare = 5.9303e-04 1.R53 HD3 = 2.115(S), Expected = 3.13, Std = 0.2200, ChiSquare = 3.9568e-06 1.R54 HD3 = 1.379(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.7331e-15 1.R54 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R54 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.K58 HZ1 = 3.092(U) 1.K58 HZ2 = 3.092(U) 1.K58 HZ3 = 3.092(U) 1.K65 HZ1 = 3.018(U) 1.K65 HZ2 = 3.018(U) 1.K65 HZ3 = 3.018(U)