Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.R1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.1 G 0.07 HN Overlap>> 1.D2 1.D2 C Shift Assignments>> C :: 175.6 CA :: 56.2 CB :: 30.6 CG :: 27.2 CD :: 43.4 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 :: 8.76 HA :: 4.46 HB2 :: 1.86 HB3 :: 1.96 HG2 :: 1.70 HG3 :: 1.70 HD2 :: 3.25 HD3 :: 3.25 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 :: 120.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.22 K 0.16 C 0.1 F 0.08 R 0.06 Y 0.06 N 0.05 HN Overlap>> 1.R1 1.R1 C Shift Assignments>> C :: 175.8 CA :: 54.8 CB :: 41.6 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 :: 8.76 HA :: 4.81 HB2 :: 2.90 HB3 :: 2.90 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 :: 120.9 Ave N Shift Values>> N :: 120.73(4.2) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.6 CA :: 57.5 CB :: 65.9 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.71 HA :: 4.97 HB2 :: 3.99 HB3 :: 4.36 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 :: 116.3 Ave N Shift Values>> N :: 116.3(3.95) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.4 C 0.19 C Shift Assignments>> C :: 176.7 CA :: 62.2 CB :: 38.5 CD1 :: 132.3 CD2 :: 132.3 CE1 :: 130.4 CE2 :: 130.4 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 :: 9.37 HA :: 4.01 HB2 :: 2.86 HB3 :: 3.51 HD1 :: 6.68 HD2 :: 6.68 HE1 :: 6.95 HE2 :: 6.95 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 120.69(4.18) 1.G5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 175.2 CA :: 46.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.93 HA2 :: 2.02(S) HA3 :: 3.25 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.5 Ave N Shift Values>> N :: 109.91(4.29) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 L 0.11 K 0.1 D 0.09 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 179.5 CA :: 57.4 CB :: 40.5 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 :: 7.63 HA :: 4.10 HB2 :: 2.28 HB3 :: 2.78 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 :: 120.5 Ave N Shift Values>> N :: 120.73(4.2) 1.W7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 C 0.33 H 0.01 HN Overlap>> 1.L61 1.L61 C Shift Assignments>> C :: 177.2 CA :: 61.1 CB :: 28.3 CD1 :: 127.2 CE3 :: 118.9 CZ2 :: 115.1 CZ3 :: 121.4 CH2 :: 124.1 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 :: 7.19 HA :: 3.86 HB2 :: 2.57 HB3 :: 2.95 HD1 :: 7.28 HE1 :: 11.00 HE3 :: 7.36 HZ2 :: 7.54 HZ3 :: 6.86 HH2 :: 7.04 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 :: 120.7 NE1 :: 130.5 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.37 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 179.5 CA :: 55.2 CB :: 18.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.04 HA :: 3.73 HB1 :: 1.08 HB2 :: 1.08 HB3 :: 1.08 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.7 Ave N Shift Values>> N :: 123.23(3.7) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.13 K 0.13 C 0.12 Q 0.11 R 0.11 E 0.11 I 0.11 H 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 180.4 CA :: 58.8 CB :: 28.5 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 :: 8.06 HA :: 4.02 HB2 :: 1.89 HB3 :: 2.15 HG2 :: 2.53 HG3 :: 2.60 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.4 Ave N Shift Values>> N :: 120.68(3.68) 1.K10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.44 C 0.4 R 0.13 M 0.01 C Shift Assignments>> C :: 179.5 CA :: 60.0 CB :: 32.4 CG :: 25.5 CD :: 28.9 CE :: 41.6 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 :: 7.74 HA :: 3.91 HB2 :: 1.70 HB3 :: 1.70 HG2 :: 1.14 HG3 :: 1.32 HD2 :: 0.56(S) HD3 :: 0.94 HE2 :: 2.28 HE3 :: 2.38 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 :: 122.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 C Shift Assignments>> C :: 177.1 CA :: 61.2 CB :: 38.9 CD1 :: 131.3 CD2 :: 131.3 CE1 :: 131.3 CE2 :: 131.3 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 :: 8.75 HA :: 4.08 HB2 :: 3.04 HB3 :: 3.61 HD1 :: 6.97 HD2 :: 6.97 HE1 :: 6.80 HE2 :: 6.80 HZ :: 6.49 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 :: 123.5 Ave N Shift Values>> N :: 120.69(4.18) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.41 R 0.06 C Shift Assignments>> C :: 180.0 CA :: 58.2 CB :: 41.7 CG :: 26.3 CD1 :: 23.8 CD2 :: 26.3 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 :: 8.40 HA :: 3.52 HB2 :: 1.24 HB3 :: 2.08 HG :: 2.26 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.99 HD22 :: 0.99 HD23 :: 0.99 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 :: 121.1 Ave N Shift Values>> N :: 121.98(4.07) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.13 K 0.11 R 0.11 V 0.1 M 0.1 E 0.09 H 0.07 Q 0.04 I 0.02 C Shift Assignments>> C :: 179.3 CA :: 59.0 CB :: 31.9 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 :: 7.81 HA :: 4.08 HB2 :: 1.87 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 :: 119.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3 CA :: 61.4 CB :: 62.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.21 HA :: 4.21 HB2 :: 3.96 HB3 :: 3.96 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 :: 117.6 Ave N Shift Values>> N :: 116.3(3.95) 1.K15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.14 M 0.01 G 0.01 A 0.01 L 0.01 HN Overlap>> 1.I56 1.I56 C Shift Assignments>> C :: 178.5 CA :: 56.5 CB :: 30.6 CG :: 22.7 CD :: 27.2 CE :: 42.3 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 :: 7.76 HA :: 4.04 HB2 :: 1.42 HB3 :: 1.61 HG2 :: 0.36(S) HG3 :: 0.53 HD2 :: 1.33 HD3 :: 1.51 HE2 :: 2.54 HE3 :: 2.54 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.14 K 0.09 Q 0.05 M 0.03 C Shift Assignments>> C :: 179.9 CA :: 59.2 CB :: 29.6 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 :: 7.68 HA :: 4.03 HB2 :: 2.09 HB3 :: 2.15 HG2 :: 2.18 HG3 :: 2.30 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 120.68(3.68) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 178.9 CA :: 54.4 CB :: 18.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.03 HA :: 4.20 HB1 :: 1.51 HB2 :: 1.51 HB3 :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.0 Ave N Shift Values>> N :: 123.23(3.7) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.2 K 0.16 C 0.1 F 0.09 Y 0.08 R 0.05 N 0.05 C Shift Assignments>> C :: 177.5 CA :: 55.1 CB :: 41.4 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 :: 7.86 HA :: 4.60 HB2 :: 2.79 HB3 :: 2.85 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.7 Ave N Shift Values>> N :: 120.73(4.2) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 175.3 CA :: 46.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.91 HA2 :: 3.86 HA3 :: 4.08 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.1 Ave N Shift Values>> N :: 109.91(4.29) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.1 CA :: 61.8 CB :: 32.2 CG1 :: 22.0 CG2 :: 20.6 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 :: 7.15 HA :: 4.25 HB :: 2.30 HG11 :: 1.17 HG12 :: 1.17 HG13 :: 1.17 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 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 :: 114.6 Ave N Shift Values>> N :: 121.02(4.96) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6 CA :: 57.9 CB :: 64.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.56 HA :: 4.39 HB2 :: 4.09 HB3 :: 4.36 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 116.3(3.95) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.0 CA :: 66.5 CB :: 31.7 CG1 :: 22.5 CG2 :: 20.9 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 :: 8.69 HA :: 3.70 HB :: 2.07 HG11 :: 1.11 HG12 :: 1.11 HG13 :: 1.11 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 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 :: 122.1 Ave N Shift Values>> N :: 121.02(4.96) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.6 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 :: 8.30 HA :: 4.21 HB2 :: 3.87 HB3 :: 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 :: 113.6 Ave N Shift Values>> N :: 116.3(3.95) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.37 E 0.23 C Shift Assignments>> C :: 178.4 CA :: 58.4 CB :: 28.9 CG :: 34.4 CD :: 179.9 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 :: 7.82 HA :: 3.97 HB2 :: 1.98 HB3 :: 2.19 HG2 :: 2.18 HG3 :: 2.30 HE21 :: 6.71 HE22 :: 7.05 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 :: 122.9 NE2 :: 112.4 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.42 R 0.04 C Shift Assignments>> C :: 178.8 CA :: 58.3 CB :: 41.2 CG :: 27.0 CD1 :: 23.3 CD2 :: 25.2 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 :: 8.92 HA :: 4.13 HB2 :: 1.52 HB3 :: 1.94 HG :: 1.58 HD11 :: 0.94 HD12 :: 0.94 HD13 :: 0.94 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 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 :: 122.2 Ave N Shift Values>> N :: 121.98(4.07) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 N 0.3 D 0.04 C Shift Assignments>> C :: 179.0 CA :: 55.9 CB :: 37.2 CG :: 175.5 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 :: 8.86 HA :: 4.42 HB2 :: 2.77 HB3 :: 2.96 HD21 :: 7.61 HD22 :: 6.97 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 :: 117.6 ND2 :: 111.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.0 CA :: 62.1 CB :: 62.1 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.84 HA :: 4.10 HB2 :: 3.60 HB3 :: 3.82 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 116.3(3.95) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 174.8 CA :: 61.2 CB :: 37.8 CD1 :: 132.0 CD2 :: 132.0 CE1 :: 118.7 CE2 :: 118.7 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 :: 8.18 HA :: 4.60 HB2 :: 3.20 HB3 :: 3.20 HD1 :: 7.24 HD2 :: 7.24 HE1 :: 7.02 HE2 :: 7.02 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 :: 119.3 Ave N Shift Values>> N :: 120.79(4.69) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.39 R 0.17 G 0.02 C Shift Assignments>> C :: 179.0 CA :: 61.3 CB :: 32.8 CG :: 25.3 CD :: 28.2 CE :: 42.2 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.04 HA :: 3.89 HB2 :: 1.93 HB3 :: 2.06 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 2.74 HE3 :: 2.74 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 :: 119.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 N 0.32 D 0.18 C Shift Assignments>> C :: 178.3 CA :: 56.2 CB :: 38.9 CG :: 175.7 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 :: 7.77 HA :: 4.56 HB2 :: 2.92 HB3 :: 2.96 HD21 :: 7.53 HD22 :: 7.27 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 :: 117.8 ND2 :: 113.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 178.3 CA :: 59.7 CB :: 37.5 CD1 :: 132.2 CD2 :: 132.2 CE1 :: 117.6 CE2 :: 117.6 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.86 HA :: 4.91 HB2 :: 3.31 HB3 :: 3.57 HD1 :: 7.21 HD2 :: 7.21 HE1 :: 6.67 HE2 :: 6.67 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 :: 119.4 Ave N Shift Values>> N :: 120.79(4.69) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 P 0.35 V 0.06 C 0.05 W 0.01 C Shift Assignments>> C :: 173.7 CA :: 65.5 CB :: 28.3 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.64 HA :: 4.41 HB2 :: 3.17 HB3 :: 3.49 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 :: 113.5 Ave N Shift Values>> N :: 119.95(4.79) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.13 C 0.13 H 0.11 Q 0.1 K 0.07 M 0.05 I 0.04 V 0.02 C Shift Assignments>> C :: 177.2 CA :: 58.3 CB :: 30.2 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 :: 8.44 HA :: 3.74 HB2 :: 1.79 HB3 :: 1.79 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 :: 111.4 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.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.25 D 0.15 C Shift Assignments>> C :: 176.7 CA :: 53.4 CB :: 38.0 CG :: 176.4 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 :: 8.02 HA :: 4.98 HB2 :: 2.85 HB3 :: 2.85 HD21 :: 6.71 HD22 :: 7.51 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.6 ND2 :: 111.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.16 E 0.12 R 0.11 I 0.09 V 0.09 H 0.07 Q 0.05 K 0.04 M 0.03 P 0.02 HN Overlap>> 1.A91 1.A91 C Shift Assignments>> C :: 176.6 CA :: 60.0 CB :: 30.5 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.20 HA :: 4.47 HB2 :: 2.98 HB3 :: 3.68 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 :: 115.6 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.37 A 0.15 R 0.01 C Shift Assignments>> C :: 176.8 CA :: 54.4 CB :: 40.6 CG :: 26.6 CD1 :: 22.2 CD2 :: 25.7 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 :: 8.17 HA :: 4.73 HB2 :: 2.04 HB3 :: 2.68 HG :: 1.99 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 1.13 HD22 :: 1.13 HD23 :: 1.13 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 :: 114.0 Ave N Shift Values>> N :: 121.98(4.07) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.7 CB :: 62.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.14 HA :: 4.73 HB2 :: 3.83 HB3 :: 3.88 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 :: 117.2 Ave N Shift Values>> N :: 116.3(3.95) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.43 C Shift Assignments>> C :: 177.9 CA :: 65.7 CB :: 31.8 CG :: 28.5 CD :: 51.6 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 :: 4.56 HB2 :: 1.62 HB3 :: 2.58 HG2 :: 2.02 HG3 :: 2.02 HD2 :: 3.36 HD3 :: 4.10 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.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.27 A 0.15 R 0.04 G 0.03 C Shift Assignments>> C :: 178.7 CA :: 54.3 CB :: 42.4 CG :: 26.0 CD1 :: 22.2 CD2 :: 25.9 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 :: 8.09 HA :: 4.26 HB2 :: 1.01 HB3 :: 1.59 HG :: 1.39 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 HD21 :: 0.38 HD22 :: 0.38 HD23 :: 0.38 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 :: 112.4 Ave N Shift Values>> N :: 121.98(4.07) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 HN Overlap>> 1.D87 1.D87 C Shift Assignments>> C :: 178.3 CA :: 63.4 CB :: 38.6 CD1 :: 133.3 CD2 :: 133.3 CE1 :: 118.9 CE2 :: 118.9 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.35 HA :: 4.17 HB2 :: 2.95 HB3 :: 3.75 HD1 :: 7.10 HD2 :: 7.10 HE1 :: 6.78 HE2 :: 6.78 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 :: 119.4 Ave N Shift Values>> N :: 120.79(4.69) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.1 N 0.09 M 0.08 A 0.08 H 0.07 C 0.06 Q 0.06 R 0.05 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 177.0 CA :: 54.6 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 :: 8.64 HA :: 4.26 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 :: 111.8 Ave N Shift Values>> N :: 120.1(3.88) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.26 M 0.02 C Shift Assignments>> C :: 176.3 CA :: 56.0 CB :: 33.4 CG :: 25.8 CD :: 29.6 CE :: 42.1 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 :: 7.88 HA :: 4.43 HB2 :: 1.84 HB3 :: 1.98 HG2 :: 1.55 HG3 :: 1.55 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.98 HE3 :: 2.98 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 :: 121.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3 CA :: 58.7 CB :: 63.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.16 HA :: 4.62 HB2 :: 3.97 HB3 :: 4.01 HG :: 4.99 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 116.3(3.95) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.4 R 0.11 G 0.04 C Shift Assignments>> C :: 178.7 CA :: 58.8 CB :: 42.6 CG :: 26.4 CD1 :: 23.6 CD2 :: 26.4 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 :: 8.86 HA :: 4.13 HB2 :: 1.63 HB3 :: 1.83 HG :: 1.76 HD11 :: 0.50 HD12 :: 0.50 HD13 :: 0.50 HD21 :: 0.44 HD22 :: 0.44 HD23 :: 0.44 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 :: 124.2 Ave N Shift Values>> N :: 121.98(4.07) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0 CA :: 60.1 CB :: 63.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.33 HA :: 4.31 HB2 :: 3.96 HB3 :: 4.14 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 :: 107.7 Ave N Shift Values>> N :: 116.3(3.95) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 M 0.17 K 0.02 I 0.02 Q 0.02 C Shift Assignments>> C :: 174.1 CA :: 55.6 CB :: 31.2 CG :: 36.6 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 :: 7.80 HA :: 4.57 HB2 :: 2.21 HB3 :: 2.21 HG2 :: 2.24 HG3 :: 2.56 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 120.68(3.68) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.25 HN Overlap>> 1.V94 1.L61 1.V94 1.L61 C Shift Assignments>> C :: 174.1 CA :: 62.3 CB :: 38.5 CG1 :: 29.1 CG2 :: 18.4 CD1 :: 15.5 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 :: 7.10 HA :: 4.04 HB :: 2.03 HG12 :: 1.00 HG13 :: 2.17 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 1.06 HD12 :: 1.06 HD13 :: 1.06 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.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.21 A 0.12 R 0.04 G 0.02 C Shift Assignments>> CA :: 51.9 CB :: 42.0 CG :: 27.0 CD1 :: 22.8 CD2 :: 25.6 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 :: 9.18 HA :: 4.94 HB2 :: 1.58 HB3 :: 1.77 HG :: 1.84 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 0.99 HD22 :: 0.99 HD23 :: 0.99 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 :: 129.4 Ave N Shift Values>> N :: 121.98(4.07) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 178.5 CA :: 66.6 CB :: 31.3 CG :: 28.3 CD :: 50.1 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.91 HB2 :: 2.03 HB3 :: 2.36 HG2 :: 2.27 HG3 :: 2.27 HD2 :: 3.82 HD3 :: 4.02 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.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.4 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 179.7 CA :: 55.1 CB :: 19.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.28 HA :: 4.11 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.1 Ave N Shift Values>> N :: 123.23(3.7) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.15 F 0.15 C 0.12 Y 0.11 R 0.11 D 0.06 I 0.02 C Shift Assignments>> C :: 178.2 CA :: 57.6 CB :: 41.8 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 :: 7.79 HA :: 4.44 HB2 :: 2.56 HB3 :: 2.97 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 120.73(4.2) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.Y93 1.Y93 C Shift Assignments>> C :: 177.3 CA :: 63.5 CB :: 37.5 CG1 :: 28.8 CG2 :: 17.6 CD1 :: 13.8 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 :: 7.02 HA :: 3.75 HB :: 1.84 HG12 :: 0.81 HG13 :: 1.57 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 121.6(4.72) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.34 E 0.25 C Shift Assignments>> C :: 177.5 CA :: 58.2 CB :: 30.2 CG :: 33.9 CD :: 180.5 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.15 HA :: 3.72 HB2 :: 2.20 HB3 :: 2.20 HG2 :: 2.34 HG3 :: 2.41 HE21 :: 7.50 HE22 :: 8.26 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.2 NE2 :: 117.0 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9 CA :: 62.1 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 :: 8.15 HA :: 4.18 HB2 :: 3.96 HB3 :: 4.01 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 :: 112.2 Ave N Shift Values>> N :: 116.3(3.95) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 179.2 CA :: 64.7 CB :: 38.9 CG1 :: 28.8 CG2 :: 16.3 CD1 :: 14.3 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.76 HA :: 3.86 HB :: 2.00 HG12 :: 1.22 HG13 :: 1.90 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 0.99 HD12 :: 0.99 HD13 :: 0.99 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 :: 119.5 Ave N Shift Values>> N :: 121.6(4.72) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> C :: 176.9 CA :: 62.8 CB :: 36.2 CG1 :: 28.5 CG2 :: 18.4 CD1 :: 10.9 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 :: 7.75 HA :: 3.69 HB :: 2.17 HG12 :: 1.27 HG13 :: 1.55 HG21 :: 1.02 HG22 :: 1.02 HG23 :: 1.02 HD11 :: 0.68 HD12 :: 0.68 HD13 :: 0.68 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 :: 120.2 Ave N Shift Values>> N :: 121.6(4.72) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.34 D 0.16 C Shift Assignments>> C :: 177.2 CA :: 54.8 CB :: 38.1 CG :: 176.4 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 :: 8.69 HA :: 4.44 HB2 :: 2.96 HB3 :: 3.04 HD21 :: 6.84 HD22 :: 7.65 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 :: 117.0 ND2 :: 108.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.11 K 0.09 Q 0.07 I 0.03 C Shift Assignments>> C :: 176.5 CA :: 56.2 CB :: 30.2 CG :: 36.0 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 :: 7.63 HA :: 4.45 HB2 :: 2.05 HB3 :: 2.29 HG2 :: 2.46 HG3 :: 2.46 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 :: 116.3 Ave N Shift Values>> N :: 120.68(3.68) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.2 CA :: 63.8 CB :: 68.9 CG2 :: 21.5 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 :: 7.54 HA :: 4.23 HB :: 4.17 HG21 :: 1.08 HG22 :: 1.08 HG23 :: 1.08 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.6 Ave N Shift Values>> N :: 115.7(5.05) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.3 K 0.29 L 0.02 G 0.01 M 0.01 C Shift Assignments>> C :: 175.8 CA :: 54.9 CB :: 29.8 CG :: 24.4 CD :: 28.8 CE :: 42.3 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 :: 8.86 HA :: 4.49 HB2 :: 1.83 HB3 :: 1.83 HG2 :: 1.38 HG3 :: 1.49 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 3.02 HE3 :: 3.02 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.25 A 0.13 L 0.09 HN Overlap>> 1.I47 1.I47 1.W7 1.W7 C Shift Assignments>> C :: 175.0 CA :: 52.8 CB :: 46.4 CG :: 26.9 CD1 :: 22.7 CD2 :: 26.6 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 :: 7.15 HA :: 4.71 HB2 :: 1.25 HB3 :: 1.61 HG :: 1.49 HD11 :: 1.07 HD12 :: 1.07 HD13 :: 1.07 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 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 :: 120.7 Ave N Shift Values>> N :: 121.98(4.07) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.16 C 0.02 C Shift Assignments>> CA :: 52.1 CB :: 19.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.00 HA :: 4.25 HB1 :: 1.60 HB2 :: 1.60 HB3 :: 1.60 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 123.23(3.7) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.15 G 0.01 M 0.01 C Shift Assignments>> C :: 178.3 CA :: 60.7 CB :: 32.3 CG :: 25.3 CD :: 29.2 CE :: 42.1 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 :: 8.77 HA :: 3.80 HB2 :: 1.84 HB3 :: 1.94 HG2 :: 1.43 HG3 :: 1.55 HD2 :: 1.75 HD3 :: 1.75 HE2 :: 2.90 HE3 :: 2.90 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 :: 121.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 N 0.31 D 0.06 C Shift Assignments>> C :: 178.3 CA :: 56.2 CB :: 37.3 CG :: 176.1 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.02 HA :: 4.43 HB2 :: 2.85 HB3 :: 2.85 HD21 :: 6.98 HD22 :: 7.65 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 :: 115.0 ND2 :: 112.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.5 CA :: 66.0 CB :: 67.6 CG2 :: 23.3 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 :: 7.62 HA :: 4.03 HB :: 4.29 HG21 :: 1.27 HG22 :: 1.27 HG23 :: 1.27 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 :: 119.8 Ave N Shift Values>> N :: 115.7(5.05) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.45 R 0.03 C Shift Assignments>> C :: 179.2 CA :: 58.7 CB :: 41.3 CG :: 26.3 CD1 :: 26.1 CD2 :: 22.5 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 :: 8.02 HA :: 3.79 HB2 :: 1.31 HB3 :: 2.12 HG :: 1.76 HD11 :: 1.01 HD12 :: 1.01 HD13 :: 1.01 HD21 :: 0.90 HD22 :: 0.90 HD23 :: 0.90 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 :: 121.2 Ave N Shift Values>> N :: 121.98(4.07) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.31 R 0.27 G 0.01 C Shift Assignments>> C :: 178.3 CA :: 60.1 CB :: 32.4 CG :: 26.4 CD :: 29.5 CE :: 42.1 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 :: 8.38 HA :: 3.74 HB2 :: 1.86 HB3 :: 1.91 HG2 :: 1.36 HG3 :: 1.63 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 2.89 HE3 :: 3.01 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 :: 117.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.37 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 181.2 CA :: 55.2 CB :: 18.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.48 HA :: 4.21 HB1 :: 1.41 HB2 :: 1.41 HB3 :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.9 Ave N Shift Values>> N :: 123.23(3.7) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 177.4 CA :: 66.7 CB :: 37.9 CG1 :: 30.1 CG2 :: 17.5 CD1 :: 13.9 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 :: 8.25 HA :: 3.13 HB :: 1.70 HG12 :: 0.36 HG13 :: 1.40 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 HD11 :: 0.30 HD12 :: 0.30 HD13 :: 0.30 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 :: 122.8 Ave N Shift Values>> N :: 121.6(4.72) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 K 0.13 G 0.05 L 0.01 HN Overlap>> 1.N89 1.N89 C Shift Assignments>> C :: 177.8 CA :: 60.7 CB :: 29.6 CG :: 26.7 CD :: 42.8 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 :: 8.04 HA :: 3.62 HB2 :: 1.59 HB3 :: 2.08 HG2 :: 1.53 HG3 :: 1.63 HD2 :: 2.88 HD3 :: 3.33 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 :: 119.7 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.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 N 0.35 D 0.18 C Shift Assignments>> C :: 177.5 CA :: 56.1 CB :: 38.6 CG :: 176.2 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 :: 8.92 HA :: 4.43 HB2 :: 2.90 HB3 :: 3.00 HD21 :: 7.83 HD22 :: 7.18 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 :: 117.2 ND2 :: 113.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.1 CA :: 68.2 CB :: 68.5 CG2 :: 22.5 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 :: 8.30 HA :: 4.43 HB :: 3.71 HG21 :: 1.29 HG22 :: 1.29 HG23 :: 1.29 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 :: 119.2 Ave N Shift Values>> N :: 115.7(5.05) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.15 I 0.08 C 0.02 C Shift Assignments>> C :: 178.2 CA :: 55.9 CB :: 16.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.95 HA :: 4.04 HB1 :: 1.59 HB2 :: 1.59 HB3 :: 1.59 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.9 Ave N Shift Values>> N :: 123.23(3.7) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.8 CA :: 61.3 CB :: 62.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.44 HA :: 4.43 HB2 :: 3.88 HB3 :: 4.17 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 :: 110.1 Ave N Shift Values>> N :: 116.3(3.95) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.36 Q 0.21 C Shift Assignments>> C :: 178.8 CA :: 59.6 CB :: 29.9 CG :: 35.2 CD :: 180.2 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 :: 8.34 HA :: 3.88 HB2 :: 1.90 HB3 :: 2.13 HG2 :: 2.40 HG3 :: 2.73 HE21 :: 7.27 HE22 :: 6.99 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 :: 118.1 NE2 :: 111.2 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.5 CA :: 66.1 CB :: 37.4 CG1 :: 29.6 CG2 :: 17.0 CD1 :: 15.9 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 :: 7.67 HA :: 3.20 HB :: 1.56 HG12 :: 0.21 HG13 :: 0.90 HG21 :: 0.05 HG22 :: 0.05 HG23 :: 0.05 HD11 :: 0.59 HD12 :: 0.59 HD13 :: 0.59 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 :: 122.5 Ave N Shift Values>> N :: 121.6(4.72) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 Y 0.33 C 0.17 C Shift Assignments>> C :: 178.2 CA :: 63.6 CB :: 39.3 CD1 :: 132.4 CD2 :: 132.4 CE1 :: 130.9 CE2 :: 130.9 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 :: 7.93 HA :: 3.89 HB2 :: 2.73 HB3 :: 3.15 HD1 :: 7.47 HD2 :: 7.47 HE1 :: 7.26 HE2 :: 7.26 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 :: 116.1 Ave N Shift Values>> N :: 120.69(4.18) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.05 C Shift Assignments>> C :: 178.3 CA :: 60.1 CB :: 29.6 CG :: 27.8 CD :: 43.4 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 :: 8.90 HA :: 3.91 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 1.65 HG3 :: 1.78 HD2 :: 3.18 HD3 :: 3.18 HE :: 7.28 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 :: 118.6 NE :: 84.2 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.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.37 R 0.14 C Shift Assignments>> C :: 179.0 CA :: 57.8 CB :: 41.9 CG :: 27.3 CD1 :: 23.4 CD2 :: 25.9 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 :: 7.73 HA :: 4.28 HB2 :: 2.34 HB3 :: 1.80 HG :: 1.90 HD11 :: 1.14 HD12 :: 1.14 HD13 :: 1.14 HD21 :: 1.21 HD22 :: 1.21 HD23 :: 1.21 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 :: 121.9 Ave N Shift Values>> N :: 121.98(4.07) 1.A80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 179.9 CA :: 55.1 CB :: 17.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.59 HA :: 2.71(S) HB1 :: 0.46(S) HB2 :: 0.46(S) HB3 :: 0.46(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.4 Ave N Shift Values>> N :: 123.23(3.7) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 181.7 CA :: 64.8 CB :: 38.6 CG1 :: 30.1 CG2 :: 17.0 CD1 :: 13.9 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 :: 8.91 HA :: 4.11 HB :: 1.86 HG12 :: 0.60 HG13 :: 1.70 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 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 :: 122.4 Ave N Shift Values>> N :: 121.6(4.72) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.2 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.7 CA :: 59.1 CB :: 29.2 CG :: 36.4 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 :: 8.56 HA :: 4.10 HB2 :: 2.18 HB3 :: 2.30 HG2 :: 2.37 HG3 :: 2.47 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 :: 123.2 Ave N Shift Values>> N :: 120.68(3.68) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.62 C 0.23 N 0.14 C Shift Assignments>> C :: 173.2 CA :: 54.2 CB :: 41.3 CG :: 178.5 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 :: 7.31 HA :: 4.75 HB2 :: 3.20 HB3 :: 2.66 HD21 :: 7.67 HD22 :: 7.85 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.9 ND2 :: 115.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.27 K 0.21 R 0.06 G 0.05 C Shift Assignments>> C :: 175.3 CA :: 57.1 CB :: 26.0 CG :: 27.4 CD :: 43.1 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 :: 8.32 HA :: 4.12 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 1.59 HG3 :: 1.64 HD2 :: 3.27 HD3 :: 3.27 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.4 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.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.27 C 0.04 L 0.02 C Shift Assignments>> C :: 176.5 CA :: 53.4 CB :: 19.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.35 HA :: 4.32 HB1 :: 1.14 HB2 :: 1.14 HB3 :: 1.14 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 123.23(3.7) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.45 A 0.01 C Shift Assignments>> C :: 173.6 CA :: 59.2 CB :: 41.6 CG1 :: 28.5 CG2 :: 18.5 CD1 :: 14.9 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 :: 7.29 HA :: 4.40 HB :: 1.95 HG12 :: 1.21 HG13 :: 1.56 HG21 :: 0.85 HG22 :: 0.85 HG23 :: 0.85 HD11 :: 1.06 HD12 :: 1.06 HD13 :: 1.06 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 :: 111.5 Ave N Shift Values>> N :: 121.6(4.72) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.13 C 0.1 N 0.07 R 0.07 F 0.05 Y 0.04 HN Overlap>> 1.Y40 1.Y40 C Shift Assignments>> C :: 174.7 CA :: 53.7 CB :: 41.8 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 :: 8.27 HA :: 4.94 HB2 :: 2.60 HB3 :: 2.73 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 :: 119.4 Ave N Shift Values>> N :: 120.73(4.2) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.43 G 0.01 C Shift Assignments>> C :: 171.5 CA :: 56.4 CB :: 42.0 CD1 :: 132.0 CD2 :: 132.0 CE1 :: 132.3 CE2 :: 132.3 CZ :: 130.4 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 :: 7.23 HA :: 4.69 HB2 :: 2.84 HB3 :: 3.09 HD1 :: 7.20 HD2 :: 7.20 HE1 :: 6.66 HE2 :: 6.66 HZ :: 6.95 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 :: 119.7 Ave N Shift Values>> N :: 120.69(4.18) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 N 0.39 C 0.14 D 0.06 HN Overlap>> 1.R70 1.R70 C Shift Assignments>> CA :: 48.1 CB :: 39.2 CG :: 176.0 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 :: 8.06 HA :: 4.49 HB2 :: 2.10 HB3 :: 3.19 HD21 :: 7.16 HD22 :: 6.83 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 :: 119.7 ND2 :: 109.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.7 CA :: 63.9 CB :: 31.7 CG :: 27.2 CD :: 49.4 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.97 HB2 :: 1.18 HB3 :: 1.90 HG2 :: 0.90 HG3 :: 1.56 HD2 :: 1.68(S) HD3 :: 2.90 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.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 C 0.02 I 0.01 HN Overlap>> 1.H35 1.H35 C Shift Assignments>> C :: 178.0 CA :: 53.9 CB :: 17.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.24 HA :: 3.90 HB1 :: 1.40 HB2 :: 1.40 HB3 :: 1.40 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 123.23(3.7) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 C 0.18 F 0.18 D 0.17 N 0.11 L 0.08 I 0.02 K 0.01 E 0.01 C Shift Assignments>> C :: 176.2 CA :: 55.8 CB :: 39.5 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 :: 7.08 HA :: 4.22 HB2 :: 2.26 HB3 :: 2.18 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 120.73(4.2) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 HN Overlap>> 1.I52 1.I52 C Shift Assignments>> C :: 174.7 CA :: 57.6 CB :: 38.5 CD1 :: 133.1 CD2 :: 133.1 CE1 :: 118.8 CE2 :: 118.8 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 :: 7.06 HA :: 4.49 HB2 :: 2.56 HB3 :: 3.44 HD1 :: 7.06 HD2 :: 7.06 HE1 :: 6.79 HE2 :: 6.79 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.8 Ave N Shift Values>> N :: 120.79(4.69) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 HN Overlap>> 1.I47 1.I47 C Shift Assignments>> C :: 174.7 CA :: 62.1 CB :: 32.7 CG1 :: 21.7 CG2 :: 23.2 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 :: 7.00 HA :: 4.04 HB :: 1.95 HG11 :: 0.75 HG12 :: 0.75 HG13 :: 0.75 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 121.02(4.96) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.15 G 0.06 C Shift Assignments>> C :: 175.4 CA :: 54.2 CB :: 32.4 CG :: 26.8 CD :: 43.1 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.43 HA :: 4.64 HB2 :: 1.68 HB3 :: 1.77 HG2 :: 1.57 HG3 :: 1.57 HD2 :: 3.18 HD3 :: 3.18 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 :: 128.2 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.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 I 0.17 A 0.14 C Shift Assignments>> CA :: 56.5 CB :: 36.7 CG1 :: 27.0 CG2 :: 17.3 CD1 :: 10.3 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 :: 8.70 HA :: 4.44 HB :: 2.06 HG12 :: 1.34 HG13 :: 1.53 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 HD11 :: 0.62 HD12 :: 0.62 HD13 :: 0.62 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 :: 124.1 Ave N Shift Values>> N :: 121.6(4.72) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.0 CA :: 63.2 CB :: 32.4 CG :: 27.3 CD :: 51.4 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 :: 4.37 HB2 :: 1.89 HB3 :: 2.33 HG2 :: 2.02 HG3 :: 2.02 HD2 :: 3.52 HD3 :: 3.84 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.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 176.8 CA :: 57.1 CB :: 32.8 CG :: 25.0 CD :: 29.4 CE :: 42.2 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 :: 8.38 HA :: 4.19 HB2 :: 1.82 HB3 :: 1.82 HG2 :: 1.42 HG3 :: 1.51 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.02 HE3 :: 3.02 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I99 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 :: 175.4 CA :: 60.6 CB :: 39.1 CG1 :: 27.2 CG2 :: 17.5 CD1 :: 13.0 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 :: 7.93 HA :: 4.20 HB :: 1.86 HG12 :: 1.44 HG13 :: 1.19 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 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 :: 120.2 Ave N Shift Values>> N :: 121.6(4.72) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> C :: 177.2 CA :: 52.2 CB :: 19.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.37 HA :: 4.37 HB1 :: 1.38 HB2 :: 1.38 HB3 :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.3 Ave N Shift Values>> N :: 123.23(3.7) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.28 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 177.2 CA :: 55.2 CB :: 42.4 CG :: 27.0 CD1 :: 24.9 CD2 :: 23.6 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 :: 8.25 HA :: 4.28 HB2 :: 1.51 HB3 :: 1.58 HG :: 1.60 HD11 :: 0.90 HD12 :: 0.90 HD13 :: 0.90 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 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 :: 121.9 Ave N Shift Values>> N :: 121.98(4.07) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.12 K 0.07 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.1 CA :: 56.4 CB :: 30.5 CG :: 36.2 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 :: 8.39 HA :: 4.23 HB2 :: 1.87 HB3 :: 1.93 HG2 :: 2.15 HG3 :: 2.21 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 120.68(3.68) 1.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 W 0.13 C 0.12 E 0.12 Q 0.12 M 0.09 K 0.07 I 0.01 C Shift Assignments>> C :: 176.1 CA :: 56.0 CB :: 30.5 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 :: 8.33 HA :: 4.59 HB2 :: 3.05 HB3 :: 3.05 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.15 R 0.14 W 0.13 E 0.12 Q 0.12 C 0.12 K 0.08 M 0.08 I 0.01 C Shift Assignments>> C :: 173.9 CA :: 56.0 CB :: 30.3 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.62 HB2 :: 3.13 HB3 :: 3.13 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.H108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 R 0.14 H 0.13 C 0.12 Q 0.11 K 0.07 M 0.06 I 0.02 V 0.01 C Shift Assignments>> CA :: 57.3 CB :: 30.3 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 :: 8.14 HB2 :: 3.11 HB3 :: 3.11 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.3 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 0 C Shift Results: #Consistent: 475 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 738 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G5 HA2 = 2.02(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.4000e-06 1.K10 HD2 = 0.56(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.6691e-05 1.K15 HG2 = 0.36(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.5823e-04 1.A80 HA = 2.71(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.2383e-04 1.A80 HB1 = 0.46(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3323e-04 1.A80 HB2 = 0.46(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3323e-04 1.A80 HB3 = 0.46(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3323e-04 1.P90 HD2 = 1.68(S), Expected = 3.64, Std = 0.3600, ChiSquare = 5.1967e-08