P1 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.49 P 0.46 G 0.03 C Shift Assignments>> C :: 171.0(S) CA :: 62.4 CB :: 31.7 CG :: 25.5 CD :: 48.6 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 :: 3.02(S) HB2 :: 1.38 HB3 :: 1.17 HG2 :: 1.66 HG3 :: 1.25 HD2 :: 3.18 HD3 :: 3.02 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) V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.45 I 0.01 C Shift Assignments>> C :: 172.9 CA :: 61.0 CB :: 34.7 CG1 :: 21.8 CG2 :: 19.7 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 :: 6.92 HA :: 4.21 HB :: 1.94 HG1 :: 0.72 HG2 :: 0.63 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 :: 120.2 Ave N Shift Values>> N :: 121.02(4.96) D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 N 0.11 C 0.11 K 0.1 R 0.05 F 0.05 Y 0.03 C Shift Assignments>> C :: 176.4 CA :: 52.9 CB :: 41.7 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 :: 8.10 HA :: 4.93 HB2 :: 2.94 HB3 :: 2.44 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 :: 125.0 Ave N Shift Values>> N :: 120.73(4.2) F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 C 0.17 I 0.12 K 0.07 L 0.06 D 0.03 R 0.01 HN Overlap>> K131 C Shift Assignments>> C :: 175.2 CA :: 58.8 CB :: 40.4 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 :: 9.81 HA :: 4.62 HB2 :: 3.36 HB3 :: 2.93 HD1 :: 7.16 HD2 :: 7.16 HE1 :: 7.29 HE2 :: 7.29 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 127.0 Ave N Shift Values>> N :: 120.69(4.18) N5 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Anomalous PRTL>> F 0.2 Y 0.19 C 0.16 D 0.14 L 0.11 K 0.06 N 0.04 I 0.03 C Shift Assignments>> C :: 176.9 CA :: 56.6 CB :: 40.2 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 :: 8.52 HA :: 4.36 HB2 :: 3.15 HB3 :: 2.52 HD21 :: 9.60(M) HD22 :: 7.84 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 :: 120.0 ND2 :: 125.6(M) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.2 CA :: 44.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.61 HA2 :: 4.25 HA3 :: 3.82 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.7 Ave N Shift Values>> N :: 109.91(4.29) Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 C 0.14 K 0.14 L 0.13 D 0.1 I 0.03 R 0.02 N 0.01 C Shift Assignments>> C :: 174.0 CA :: 57.2 CB :: 40.8 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 :: 8.44 HA :: 4.97 HB2 :: 2.74 HB3 :: 2.74 HD1 :: 6.95 HD2 :: 6.95 HE1 :: 6.77 HE2 :: 6.77 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 :: 126.3 Ave N Shift Values>> N :: 120.79(4.69) W8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.14 C 0.14 Q 0.13 W 0.11 E 0.1 M 0.09 K 0.08 C Shift Assignments>> C :: 174.9 CA :: 54.6 CB :: 30.2 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.19 HA :: 5.08 HB2 :: 2.92 HB3 :: 2.64 HD1 :: 7.13 HE1 :: 9.09 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 :: 132.4 NE1 :: 130.2 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.11 M 0.02 C Shift Assignments>> C :: 177.8 CA :: 54.3 CB :: 35.3 CG :: 24.5 CD :: 29.3 CE :: 41.7 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 :: 9.21 HA :: 5.20 HB2 :: 1.81 HB3 :: 1.90 HG2 :: 1.61 HG3 :: 1.57 HD2 :: 1.82 HD3 :: 1.75 HE2 :: 3.07 HE3 :: 3.07 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 :: 128.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.31 Q 0.08 E 0.04 K 0.01 C Shift Assignments>> C :: 175.4 CA :: 59.6 CB :: 32.8 CG :: 33.0 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 :: 8.56 HA :: 3.52 HB2 :: 1.97 HB3 :: 1.56 HG2 :: 2.63 HG3 :: 2.63 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 :: 129.4 Ave N Shift Values>> N :: 120.1(3.88) L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.34 C 0.2 R 0.01 HN Overlap>> C126 C Shift Assignments>> C :: 176.7 CA :: 55.2 CB :: 44.8 CG :: 26.5 CD1 :: 24.8 CD2 :: 24.0 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 :: 9.58 HA :: 4.49 HB2 :: 1.36 HB3 :: 1.31 HG :: 1.49 HD1 :: 0.85 HD2 :: 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 :: 130.9 Ave N Shift Values>> N :: 121.98(4.07) S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 172.1 CA :: 57.4 CB :: 65.1 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.70 HA :: 4.51 HB2 :: 3.74 HB3 :: 3.49 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 :: 115.4 Ave N Shift Values>> N :: 116.3(3.95) N13 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.34 D 0.3 C 0.12 L 0.08 F 0.05 Y 0.05 K 0.01 HN Overlap>> F16 K37 C Shift Assignments>> C :: 174.2 CA :: 52.4 CB :: 40.1 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 :: 8.39 HA :: 4.91 HB2 :: 3.07 HB3 :: 2.84 HD21 :: 7.30 HD22 :: 4.38(S) 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 :: 123.2 ND2 :: 109.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) SRO Rule Breaks>> (HD22 > HA : 0.9966) E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.29 E 0.22 Q 0.02 C Shift Assignments>> C :: 176.0 CA :: 55.2 CB :: 32.6 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 :: 8.99 HA :: 4.74 HB2 :: 2.15 HB3 :: 2.01 HG2 :: 2.25 HG3 :: 2.25 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 :: 129.7 Ave N Shift Values>> N :: 120.68(3.68) N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.21 C 0.15 Y 0.09 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 175.9 CA :: 53.7 CB :: 39.1 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 :: 9.53 HA :: 4.77 HB2 :: 3.77 HB3 :: 2.88 HD21 :: 7.65 HD22 :: 7.10 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.4 ND2 :: 115.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 I 0.24 F 0.24 C 0.19 E 0.02 L 0.01 HN Overlap>> N13 K37 C Shift Assignments>> C :: 177.9 CA :: 59.7 CB :: 38.9 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 :: 8.38 HA :: 4.87 HB2 :: 3.46 HB3 :: 3.12 HD1 :: 7.29 HD2 :: 7.29 HE1 :: 7.53 HE2 :: 7.53 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 :: 123.2 Ave N Shift Values>> N :: 120.69(4.18) E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.33 E 0.21 K 0.04 C Shift Assignments>> C :: 178.5 CA :: 60.3 CB :: 28.4 CG :: 36.7 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 :: 8.63 HA :: 3.67 HB2 :: 2.12 HB3 :: 1.91 HG2 :: 2.21 HG3 :: 2.07 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 :: 121.6 Ave N Shift Values>> N :: 120.68(3.68) E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.34 E 0.24 K 0.03 C Shift Assignments>> C :: 179.4 CA :: 59.7 CB :: 28.6 CG :: 37.1 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 :: 8.29 HA :: 3.89 HB2 :: 1.95 HB3 :: 1.95 HG2 :: 2.42 HG3 :: 2.37 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 :: 121.4 Ave N Shift Values>> N :: 120.68(3.68) Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 F 0.2 Y 0.19 C 0.16 C Shift Assignments>> C :: 175.1 CA :: 61.4 CB :: 39.2 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 :: 7.61 HA :: 3.96 HB2 :: 3.25 HB3 :: 2.90 HD1 :: 6.83 HD2 :: 6.83 HE1 :: 7.12 HE2 :: 7.12 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 :: 126.3 Ave N Shift Values>> N :: 120.79(4.69) L20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 L 0.29 A 0.05 C Shift Assignments>> C :: 180.2 CA :: 57.1 CB :: 40.7 CG :: 26.4 CD1 :: 21.7 CD2 :: 21.7 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 :: 8.09 HA :: 3.47 HB2 :: 1.64 HB3 :: 0.67 HG :: 0.06(S) HD1 :: 0.49 HD2 :: 0.49 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 121.98(4.07) R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.1 G 0.06 C Shift Assignments>> C :: 180.4 CA :: 60.1 CB :: 30.1 CG :: 27.7 CD :: 43.0 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 :: 8.65 HA :: 3.80 HB2 :: 2.01 HB3 :: 1.64 HG2 :: 1.59 HG3 :: 1.46 HD2 :: 3.12 HD3 :: 3.12 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 :: 124.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.02 C 0.02 C Shift Assignments>> C :: 178.0 CA :: 54.6 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 :: 7.91 HA :: 4.05 HB :: 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 :: 128.7 Ave N Shift Values>> N :: 123.23(3.7) L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 L 0.32 C 0.21 G 0.06 C Shift Assignments>> C :: 176.5 CA :: 53.8 CB :: 42.8 CG :: 25.2 CD1 :: 25.2 CD2 :: 21.1 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 :: 6.70 HA :: 3.92 HB2 :: 1.54 HB3 :: 1.38 HG :: 1.09 HD1 :: 0.24 HD2 :: 0.33 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 121.98(4.07) D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.14 C 0.13 N 0.13 F 0.12 Y 0.11 K 0.06 C Shift Assignments>> C :: 175.9 CA :: 54.8 CB :: 40.4 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 :: 8.06 HA :: 4.15 HB2 :: 2.99 HB3 :: 2.82 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 120.73(4.2) V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 176.2 CA :: 63.6 CB :: 31.1 CG1 :: 22.8 CG2 :: 21.5 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 :: 7.58 HA :: 3.70 HB :: 1.39 HG1 :: 0.74 HG2 :: 0.92 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.8 Ave N Shift Values>> N :: 121.02(4.96) N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.22 C 0.14 Y 0.11 F 0.1 L 0.09 K 0.02 C Shift Assignments>> C :: 176.0 CA :: 54.3 CB :: 39.8 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 :: 8.67 HA :: 4.36 HB2 :: 3.00 HB3 :: 2.73 HD21 :: 7.90 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 :: 130.3 ND2 :: 118.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V27 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 :: 176.0 CA :: 66.3 CB :: 31.8 CG1 :: 21.9 CG2 :: 20.0 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 :: 8.60 HA :: 3.48 HB :: 2.04 HG1 :: 1.01 HG2 :: 0.95 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 :: 126.8 Ave N Shift Values>> N :: 121.02(4.96) A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.04 C 0.02 HN Overlap>> R104 C Shift Assignments>> C :: 180.7 CA :: 55.1 CB :: 17.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.10 HA :: 4.04 HB :: 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 :: 126.2 Ave N Shift Values>> N :: 123.23(3.7) L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 C Shift Assignments>> C :: 178.9 CA :: 56.3 CB :: 41.4 CG :: 25.9 CD1 :: 23.6 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 :: 7.54 HA :: 4.17 HB2 :: 1.75 HB3 :: 1.55 HG :: 1.03 HD1 :: 1.05 HD2 :: 1.05 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) R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.33 R 0.1 C Shift Assignments>> C :: 178.2 CA :: 60.7 CB :: 29.8 CG :: 28.5 CD :: 45.1 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 :: 8.37 HA :: 3.59 HB2 :: 1.94 HB3 :: 1.94 HG2 :: 2.02 HG3 :: 2.02 HD2 :: 3.08 HD3 :: 2.89 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 :: 122.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.24 M 0.01 G 0.01 C Shift Assignments>> C :: 179.7 CA :: 58.9 CB :: 32.1 CG :: 25.0 CD :: 28.9 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 :: 7.81 HA :: 3.95 HB2 :: 1.86 HB3 :: 1.82 HG2 :: 1.57 HG3 :: 1.45 HD2 :: 1.62 HD3 :: 1.62 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 :: 120.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.8 CA :: 63.9 CB :: 38.8 CG1 :: 28.8 CG2 :: 15.5 CD1 :: 13.3 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 :: 7.00 HA :: 3.61 HB :: 1.59 HG2 :: 0.08 HG12 :: 1.50 HG13 :: 0.85 HD1 :: 0.54 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 :: 121.3 Ave N Shift Values>> N :: 121.6(4.72) A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 C 0.03 I 0.02 HN Overlap>> W88 C Shift Assignments>> C :: 179.5 CA :: 54.8 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 :: 8.70 HA :: 3.89 HB :: 1.30 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.3 Ave N Shift Values>> N :: 123.23(3.7) N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 C 0.18 N 0.17 Y 0.17 F 0.15 L 0.07 I 0.02 E 0.01 C Shift Assignments>> C :: 176.1 CA :: 55.3 CB :: 39.3 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 :: 4.68 HB2 :: 2.79 HB3 :: 2.79 HD21 :: 7.43 HD22 :: 6.95 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.6 ND2 :: 116.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.24 R 0.07 A 0.05 G 0.03 C Shift Assignments>> C :: 178.0 CA :: 54.7 CB :: 42.7 CG :: 26.7 CD1 :: 25.5 CD2 :: 22.7 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 :: 7.38 HA :: 4.41 HB2 :: 1.82 HB3 :: 1.68 HG :: 1.76 HD1 :: 0.91 HD2 :: 0.86 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 :: 120.0 Ave N Shift Values>> N :: 121.98(4.07) L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.31 G 0.16 A 0.12 C Shift Assignments>> C :: 176.9 CA :: 54.7 CB :: 43.6 CG :: 27.1 CD1 :: 22.1 CD2 :: 22.1 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 :: 7.26 HA :: 4.33 HB2 :: 1.97 HB3 :: 1.37 HG :: 1.02 HD1 :: 0.88 HD2 :: 0.88 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 :: 122.1 Ave N Shift Values>> N :: 121.98(4.07) K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.4 M 0.04 HN Overlap>> N13 F16 C Shift Assignments>> C :: 173.5 CA :: 53.8 CB :: 32.5 CG :: 24.9 CD :: 29.1 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 :: 8.43 HA :: 4.84 HB2 :: 1.98 HB3 :: 1.98 HG2 :: 1.49 HG3 :: 1.49 HD2 :: 1.57 HD3 :: 1.45 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 174.2 CA :: 62.9 CB :: 33.1 CG :: 26.9 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 :: 4.79 HB2 :: 1.90 HB3 :: 1.73 HG2 :: 1.74 HG3 :: 1.50 HD2 :: 3.38 HD3 :: 3.19 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) D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.2 C 0.11 R 0.09 D 0.06 F 0.01 C Shift Assignments>> C :: 176.5 CA :: 52.2 CB :: 44.2 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 :: 8.30 HA :: 5.45 HB2 :: 2.69 HB3 :: 2.41 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 :: 120.0 Ave N Shift Values>> N :: 120.73(4.2) K40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 A 0.2 K 0.19 R 0.03 G 0.03 M 0.01 C Shift Assignments>> C :: 174.2 CA :: 52.3 CB :: 35.1 CG :: 22.6 CD :: 28.3 CE :: 42.0 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 :: 8.57 HA :: 5.21 HB2 :: 1.04 HB3 :: 0.72(S) HG2 :: 0.11(S) HG3 :: -0.23(S) HD2 :: 1.16 HD3 :: 0.30(S) HE2 :: 2.33 HE3 :: 2.33 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 :: 119.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.11 E 0.1 C Shift Assignments>> C :: 175.1 CA :: 55.2 CB :: 33.8 CG :: 37.5 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 :: 8.96 HA :: 5.15 HB2 :: 1.79 HB3 :: 2.06 HG2 :: 2.22 HG3 :: 1.91 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 :: 127.6 Ave N Shift Values>> N :: 120.68(3.68) I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 175.4 CA :: 59.8 CB :: 39.8 CG1 :: 28.6 CG2 :: 16.8 CD1 :: 13.7 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 :: 9.38 HA :: 5.22 HB :: 2.25 HG2 :: 0.64 HG12 :: 1.45 HG13 :: 0.84 HD1 :: 0.36 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 :: 130.9 Ave N Shift Values>> N :: 121.6(4.72) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.3 CA :: 61.3 CB :: 33.7 CG1 :: 20.4 CG2 :: 20.4 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 :: 8.93 HA :: 4.52 HB :: 1.80 HG1 :: 0.87 HG2 :: 0.87 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 :: 132.5 Ave N Shift Values>> N :: 121.02(4.96) Q44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> M 0.46 C 0.34 Q 0.09 K 0.07 R 0.01 E 0.01 C Shift Assignments>> C :: 174.1 CA :: 54.1 CB :: 31.6 CG :: 32.1 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 :: 9.36 HA :: 4.92 HB2 :: 1.73 HB3 :: 1.73 HG2 :: 2.43 HG3 :: 2.43 HE21 :: 8.05 HE22 :: 7.50 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 :: 135.6(S) NE2 :: 110.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 C 0.11 N 0.11 K 0.09 R 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.2 CA :: 52.6 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 :: 8.80 HA :: 4.93 HB2 :: 2.50 HB3 :: 2.77 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 :: 131.9 Ave N Shift Values>> N :: 120.73(4.2) G46 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 :: 174.7 CA :: 47.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.17 HA2 :: 4.11 HA3 :: 3.76 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 109.91(4.29) D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 N 0.08 F 0.07 Y 0.06 R 0.04 C Shift Assignments>> C :: 175.3 CA :: 54.2 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 :: 8.88 HA :: 4.95 HB2 :: 3.13 HB3 :: 2.79 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 :: 129.0 Ave N Shift Values>> N :: 120.73(4.2) H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.15 Q 0.13 R 0.12 W 0.11 K 0.1 E 0.08 M 0.07 L 0.01 C Shift Assignments>> C :: 173.5 CA :: 53.8 CB :: 29.7 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 :: 8.30 HA :: 5.07 HB2 :: 3.55 HB3 :: 3.16 HD2 :: 6.63 HE1 :: 7.17 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 :: 123.3 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M49 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.47 M 0.33 E 0.15 Q 0.02 C Shift Assignments>> C :: 171.8 CA :: 54.2 CB :: 35.8 CG :: 32.9 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 :: 8.62 HA :: 4.77 HB2 :: 1.08 HB3 :: 0.98 HG2 :: 1.08(S) HG3 :: 0.98(S) 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 :: 132.4(M) Ave N Shift Values>> N :: 120.1(3.88) I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 176.7 CA :: 59.5 CB :: 40.7 CG1 :: 27.0 CG2 :: 17.2 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 :: 8.42 HA :: 4.77 HB :: 1.46 HG2 :: 0.73 HG12 :: 0.72 HG13 :: 0.72 HD1 :: 0.63 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.2 Ave N Shift Values>> N :: 121.6(4.72) I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 176.6 CA :: 60.7 CB :: 40.5 CG1 :: 26.6 CG2 :: 15.8 CD1 :: 13.5 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 :: 8.74 HA :: 4.46 HB :: 1.76 HG2 :: 0.52 HG12 :: 0.72 HG13 :: 0.72 HD1 :: 0.91 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.8 Ave N Shift Values>> N :: 121.6(4.72) R52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.43 C 0.33 K 0.17 G 0.04 L 0.01 C Shift Assignments>> C :: 174.3 CA :: 55.5 CB :: 29.8 CG :: 28.4 CD :: 42.9 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 :: 9.96 HA :: 4.63 HB2 :: 1.46 HB3 :: 1.46 HG2 :: 1.73 HG3 :: 1.73 HD2 :: 3.09 HD3 :: 3.07 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 :: 135.0(S) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T53 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 :: 173.5 CA :: 63.2 CB :: 68.7 CG2 :: 20.8 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 :: 8.70 HA :: 4.93 HB :: 4.64 HG2 :: 1.13 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 :: 126.9 Ave N Shift Values>> N :: 115.7(5.05) L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.35 C 0.16 A 0.03 R 0.02 C Shift Assignments>> C :: 176.5 CA :: 53.3 CB :: 44.7 CG :: 26.3 CD1 :: 26.5 CD2 :: 23.4 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 :: 8.79 HA :: 5.15 HB2 :: 1.52 HB3 :: 1.52 HG :: 1.35 HD1 :: 0.91 HD2 :: 0.70 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.4 Ave N Shift Values>> N :: 121.98(4.07) S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 C Shift Assignments>> C :: 173.5 CA :: 58.1 CB :: 68.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.67 HA :: 5.06 HB2 :: 4.38 HB3 :: 3.95 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 :: 118.3 Ave N Shift Values>> N :: 116.3(3.95) T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.8 CA :: 63.6 CB :: 68.5 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 :: 8.49 HA :: 4.13 HB :: 4.36 HG2 :: 1.35 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 :: 113.5 Ave N Shift Values>> N :: 115.7(5.05) F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 F 0.16 C 0.15 K 0.15 Y 0.1 L 0.1 I 0.04 G 0.02 D 0.01 C Shift Assignments>> C :: 174.5 CA :: 59.3 CB :: 42.6 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 :: 7.45 HA :: 4.58 HB2 :: 2.86 HB3 :: 2.86 HD1 :: 6.98 HD2 :: 6.98 HE1 :: 7.12 HE2 :: 7.12 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 :: 123.7 Ave N Shift Values>> N :: 120.69(4.18) R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.23 G 0.16 K 0.08 C Shift Assignments>> C :: 173.4 CA :: 56.4 CB :: 33.8 CG :: 27.0 CD :: 43.9 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 :: 6.96 HA :: 4.22 HB2 :: 1.77 HB3 :: 1.55 HG2 :: 1.71 HG3 :: 1.48 HD2 :: 3.35 HD3 :: 3.15 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 :: 119.0 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.28 C 0.14 L 0.11 F 0.03 K 0.03 Y 0.03 C Shift Assignments>> C :: 175.3 CA :: 51.1 CB :: 40.9 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 :: 8.80 HA :: 5.80 HB2 :: 2.76 HB3 :: 2.60 HD21 :: 7.46 HD22 :: 6.57 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 :: 125.3 ND2 :: 114.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 R 0.17 F 0.15 L 0.14 C 0.13 Y 0.1 D 0.03 I 0.02 C Shift Assignments>> C :: 175.3 CA :: 58.2 CB :: 42.2 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.19 HA :: 5.08 HB2 :: 3.08 HB3 :: 2.61 HD1 :: 7.05 HD2 :: 7.05 HE1 :: 6.94 HE2 :: 6.94 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 120.79(4.69) I61 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.1 CA :: 60.4 CB :: 38.9 CG1 :: 27.7 CG2 :: 18.1 CD1 :: 11.9 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 :: 9.14 HA :: 4.34 HB :: 1.83 HG2 :: 0.75 HG12 :: 1.43 HG13 :: 1.16 HD1 :: 0.80 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 :: 138.1(M) Ave N Shift Values>> N :: 121.6(4.72) M62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.18 E 0.17 C Shift Assignments>> C :: 173.8 CA :: 54.4 CB :: 37.3 CG :: 32.8 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 :: 8.19 HA :: 4.67 HB2 :: 2.43 HB3 :: 2.43 HG2 :: 2.77 HG3 :: 2.40 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 :: 127.2 Ave N Shift Values>> N :: 120.1(3.88) D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.12 R 0.11 C 0.1 N 0.05 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.4 CA :: 53.6 CB :: 42.3 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 :: 8.63 HA :: 5.08 HB2 :: 2.83 HB3 :: 2.25 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 :: 127.4 Ave N Shift Values>> N :: 120.73(4.2) F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.2 D 0.15 C 0.1 F 0.1 R 0.09 Y 0.08 N 0.02 HN Overlap>> T125 C Shift Assignments>> C :: 172.5 CA :: 55.8 CB :: 41.7 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 :: 8.53 HA :: 4.73 HB2 :: 2.66 HB3 :: 1.85 HD1 :: 6.74 HD2 :: 6.74 HE1 :: 7.00 HE2 :: 7.00 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.4 Ave N Shift Values>> N :: 120.69(4.18) Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 M 0.2 K 0.18 R 0.03 E 0.03 C Shift Assignments>> C :: 177.6 CA :: 52.8 CB :: 30.1 CG :: 33.2 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 :: 9.04 HA :: 5.28 HB2 :: 2.04 HB3 :: 1.93 HG2 :: 2.29 HG3 :: 2.29 HE21 :: 7.53 HE22 :: 6.64 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 :: 122.1 NE2 :: 114.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.2 CA :: 65.7 CB :: 31.8 CG1 :: 22.1 CG2 :: 22.6 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 :: 9.71 HA :: 3.72 HB :: 2.12 HG1 :: 0.77 HG2 :: 1.00 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 131.9 Ave N Shift Values>> N :: 121.02(4.96) G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.6 CA :: 45.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.70 HA2 :: 4.42 HA3 :: 3.69 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 109.91(4.29) K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.36 R 0.13 M 0.02 G 0.01 C Shift Assignments>> C :: 175.8 CA :: 54.6 CB :: 33.9 CG :: 24.5 CD :: 28.9 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 :: 7.78 HA :: 4.80 HB2 :: 2.02 HB3 :: 1.82 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 1.74 HD3 :: 1.74 HE2 :: 3.07 HE3 :: 3.07 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.4 E 0.39 M 0.09 I 0.07 K 0.03 C Shift Assignments>> C :: 175.5 CA :: 56.8 CB :: 30.7 CG :: 37.1 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 :: 8.93 HA :: 4.85 HB2 :: 1.89 HB3 :: 1.89 HG2 :: 1.87 HG3 :: 1.87 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 :: 135.6(S) Ave N Shift Values>> N :: 120.68(3.68) F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.17 D 0.16 R 0.13 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> C :: 172.1 CA :: 55.1 CB :: 42.2 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 :: 9.34 HA :: 5.09 HB2 :: 3.18 HB3 :: 3.18 HD1 :: 7.00 HD2 :: 7.00 HE1 :: 7.45 HE2 :: 7.45 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 :: 128.2 Ave N Shift Values>> N :: 120.69(4.18) E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.38 M 0.07 I 0.06 K 0.02 C Shift Assignments>> C :: 174.5 CA :: 55.8 CB :: 30.4 CG :: 37.5 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 :: 8.71 HA :: 4.89 HB2 :: 2.15 HB3 :: 1.85 HG2 :: 2.13 HG3 :: 1.92 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 :: 124.7 Ave N Shift Values>> N :: 120.68(3.68) E72 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.33 E 0.29 M 0.23 Q 0.07 K 0.04 I 0.01 C Shift Assignments>> C :: 174.2 CA :: 55.3 CB :: 31.2 CG :: 35.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.60 HA :: 4.53 HB2 :: 1.33 HB3 :: 1.33 HG2 :: 2.34 HG3 :: 2.34 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 :: 138.6(M) Ave N Shift Values>> N :: 120.68(3.68) D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.17 N 0.15 C 0.11 K 0.08 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 176.5 CA :: 53.2 CB :: 41.1 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.15 HA :: 4.85 HB2 :: 3.25 HB3 :: 2.72 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 :: 130.8 Ave N Shift Values>> N :: 120.73(4.2) L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 L 0.21 C Shift Assignments>> C :: 178.1 CA :: 56.1 CB :: 39.2 CG :: 28.7 CD1 :: 26.2 CD2 :: 26.1 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 :: 8.31 HA :: 4.45 HB2 :: 1.90 HB3 :: 1.90 HG :: 1.41 HD1 :: 0.67 HD2 :: 0.56 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.5 Ave N Shift Values>> N :: 121.98(4.07) T75 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 :: 175.8 CA :: 66.3 CB :: 68.6 CG2 :: 21.2 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 :: 8.20 HA :: 4.33 HB :: 4.00 HG2 :: 1.21 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.4 Ave N Shift Values>> N :: 115.7(5.05) G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.1 CA :: 44.8 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.93 HA2 :: 4.36 HA3 :: 3.68 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 109.91(4.29) I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 173.5 CA :: 61.8 CB :: 36.3 CG1 :: 27.5 CG2 :: 16.6 CD1 :: 13.1 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 :: 7.74 HA :: 4.03 HB :: 1.64 HG2 :: 0.63 HG12 :: 0.88 HG13 :: 0.47 HD1 :: -0.16 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) D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.29 C 0.13 L 0.07 F 0.04 Y 0.04 K 0.01 C Shift Assignments>> C :: 175.4 CA :: 51.9 CB :: 40.0 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.15 HA :: 4.55 HB2 :: 2.86 HB3 :: 2.02 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 :: 117.8 Ave N Shift Values>> N :: 120.73(4.2) D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.2 F 0.14 N 0.14 D 0.08 E 0.08 I 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 174.1 CA :: 55.8 CB :: 38.2 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 :: 7.93 HA :: 3.94 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 :: 117.8 Ave N Shift Values>> N :: 120.73(4.2) R80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 K 0.06 C Shift Assignments>> C :: 174.4 CA :: 55.7 CB :: 32.8 CG :: 30.4 CD :: 39.1(S) 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 :: 6.28 HA :: 4.54 HB2 :: 1.73 HB3 :: 1.47 HG2 :: 1.64 HG3 :: 2.01 HD2 :: 3.07 HD3 :: 2.93 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 :: 118.7 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.24 G 0.01 M 0.01 C Shift Assignments>> C :: 177.7 CA :: 55.2 CB :: 34.8 CG :: 25.5 CD :: 29.1 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 :: 8.12 HA :: 5.45 HB2 :: 1.63 HB3 :: 1.63 HG2 :: 1.48 HG3 :: 1.33 HD2 :: 1.68 HD3 :: 1.54 HE2 :: 2.89 HE3 :: 2.89 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 :: 120.9 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.17 M 0.14 Q 0.1 W 0.09 R 0.09 H 0.06 E 0.06 V 0.06 C Shift Assignments>> C :: 172.6 CA :: 57.9 CB :: 32.7 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.81 HA :: 4.99 HB2 :: 2.45 HB3 :: 2.27 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.0 Ave N Shift Values>> N :: 119.95(4.79) M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.22 M 0.22 R 0.14 Q 0.05 C Shift Assignments>> C :: 176.1 CA :: 53.2 CB :: 29.8 CG :: 31.4 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 :: 8.75 HA :: 5.12 HB2 :: 1.87 HB3 :: 1.70 HG2 :: 2.60 HG3 :: 2.49 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 :: 123.3 Ave N Shift Values>> N :: 120.1(3.88) T84 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> T 0.52 C 0.47 C Shift Assignments>> C :: 172.2 CA :: 61.8 CB :: 70.2 CG2 :: 24.5 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 :: 9.22 HA :: 5.17 HB :: 2.44(S) HG2 :: 0.51 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 :: 134.0(M) Ave N Shift Values>> N :: 115.7(5.05) T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.1 CA :: 62.3 CB :: 70.7 CG2 :: 20.3 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 :: 8.11 HA :: 4.23 HB :: 3.69 HG2 :: 0.93 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 :: 121.7 Ave N Shift Values>> N :: 115.7(5.05) V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 174.2 CA :: 60.4 CB :: 32.3 CG1 :: 22.5 CG2 :: 20.1 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.46 HA :: 4.55 HB :: 1.57 HG1 :: 0.55 HG2 :: -0.01 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 :: 136.0 Ave N Shift Values>> N :: 121.02(4.96) S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 172.8 CA :: 57.1 CB :: 66.1 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.28 HA :: 4.76 HB2 :: 3.74 HB3 :: 3.68 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 :: 124.3 Ave N Shift Values>> N :: 116.3(3.95) W88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 R 0.14 E 0.14 C 0.13 H 0.12 Q 0.09 M 0.08 K 0.07 V 0.02 I 0.02 HN Overlap>> A33 C Shift Assignments>> C :: 177.4 CA :: 57.6 CB :: 30.7 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 :: 8.66 HA :: 5.11 HB2 :: 3.46 HB3 :: 3.14 HD1 :: 7.34 HE1 :: 10.61 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 :: 124.4 NE1 :: 132.7 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 C 0.11 R 0.09 K 0.09 N 0.07 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 176.7 CA :: 52.4 CB :: 42.3 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.49 HA :: 4.87 HB2 :: 2.74 HB3 :: 2.55 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 :: 128.8 Ave N Shift Values>> N :: 120.73(4.2) G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.7 CA :: 47.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.91 HA2 :: 4.07 HA3 :: 3.63 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.6 Ave N Shift Values>> N :: 109.91(4.29) D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.15 N 0.15 C 0.12 F 0.09 Y 0.08 K 0.07 R 0.01 C Shift Assignments>> C :: 174.4 CA :: 54.2 CB :: 40.6 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 :: 8.90 HA :: 4.68 HB2 :: 2.87 HB3 :: 2.87 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 :: 131.7 Ave N Shift Values>> N :: 120.73(4.2) K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 K 0.04 C Shift Assignments>> C :: 175.0 CA :: 54.9 CB :: 35.2 CG :: 24.9 CD :: 28.0 CE :: 38.8 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 :: 8.00 HA :: 5.23 HB2 :: 1.71 HB3 :: 1.31 HG2 :: 2.00 HG3 :: 2.00 HD2 :: 1.18 HD3 :: 1.18 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) L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.4 C 0.15 A 0.01 C Shift Assignments>> C :: 175.9 CA :: 53.5 CB :: 44.8 CG :: 26.7 CD1 :: 24.2 CD2 :: 23.7 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 :: 9.42 HA :: 4.73 HB2 :: 1.63 HB3 :: 1.44 HG :: 1.18 HD1 :: 0.15 HD2 :: -0.15 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.7 Ave N Shift Values>> N :: 121.98(4.07) Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 C 0.32 K 0.16 Q 0.1 R 0.06 C Shift Assignments>> C :: 174.3 CA :: 53.7 CB :: 30.6 CG :: 31.9 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 :: 9.15 HA :: 5.07 HB2 :: 1.84 HB3 :: 1.72 HG2 :: 2.41 HG3 :: 2.25 HE21 :: 7.92 HE22 :: 6.89 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 :: 126.4 NE2 :: 115.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C95 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.25 R 0.21 C 0.12 Q 0.11 K 0.08 H 0.07 W 0.05 E 0.03 I 0.02 C Shift Assignments>> C :: 174.8 CA :: 55.7 CB :: 26.7 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.94 HA :: 4.71 HB2 :: 0.24(M) HB3 :: -0.03(S) 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 :: 126.8 Ave N Shift Values>> N :: 119.95(4.79) V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 173.5 CA :: 61.5 CB :: 34.2 CG1 :: 21.1 CG2 :: 20.7 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 :: 8.23 HA :: 4.25 HB :: 1.92 HG1 :: 0.90 HG2 :: 0.92 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 :: 133.9 Ave N Shift Values>> N :: 121.02(4.96) Q97 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.27 Q 0.26 K 0.17 M 0.14 E 0.11 R 0.01 C Shift Assignments>> C :: 175.6 CA :: 53.6 CB :: 29.9 CG :: 34.3 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 :: 8.13 HA :: 4.59 HB2 :: 1.76 HB3 :: 1.76 HG2 :: 2.41 HG3 :: 2.41 HE21 :: 9.16(M) HE22 :: 5.78 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 :: 130.4 NE2 :: 117.2 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.23 M 0.02 C Shift Assignments>> C :: 176.9 CA :: 57.2 CB :: 32.6 CG :: 25.5 CD :: 29.4 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 :: 8.47 HA :: 4.37 HB2 :: 2.06 HB3 :: 1.94 HG2 :: 1.54 HG3 :: 1.36 HD2 :: 1.69 HD3 :: 1.69 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 :: 129.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 172.9 CA :: 46.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.45 HA2 :: 4.23 HA3 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.9 Ave N Shift Values>> N :: 109.91(4.29) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.1 M 0.09 K 0.03 Q 0.02 C Shift Assignments>> C :: 177.6 CA :: 58.9 CB :: 31.0 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 :: 8.26 HA :: 3.98 HB2 :: 2.03 HB3 :: 1.85 HG2 :: 2.32 HG3 :: 2.20 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 :: 124.6 Ave N Shift Values>> N :: 120.68(3.68) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.29 R 0.22 M 0.02 K 0.02 A 0.01 C Shift Assignments>> C :: 176.7 CA :: 53.2 CB :: 31.4 CG :: 23.9 CD :: 28.0 CE :: 44.6 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 :: 7.45 HA :: 4.56 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 1.24 HG3 :: 1.24 HD2 :: 1.76 HD3 :: 1.54 HE2 :: 2.34 HE3 :: 2.34 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 :: 117.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 M 0.16 K 0.05 Q 0.04 I 0.02 C Shift Assignments>> C :: 177.6 CA :: 55.9 CB :: 30.8 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 :: 9.56 HA :: 4.22 HB2 :: 1.95 HB3 :: 1.95 HG2 :: 2.27 HG3 :: 2.36 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 :: 130.7 Ave N Shift Values>> N :: 120.68(3.68) G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 174.9 CA :: 46.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.92 HA2 :: 3.73 HA3 :: 3.73 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.8 Ave N Shift Values>> N :: 109.91(4.29) R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.3 G 0.3 K 0.02 HN Overlap>> A28 C Shift Assignments>> C :: 175.9 CA :: 54.7 CB :: 31.8 CG :: 27.4 CD :: 44.5 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 :: 8.17 HA :: 5.38 HB2 :: 1.17 HB3 :: 1.17 HG2 :: 1.68 HG3 :: 1.68 HD2 :: 3.02 HD3 :: 3.02 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 171.6 CA :: 45.8 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.90 HA2 :: 4.68 HA3 :: 4.00 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 109.91(4.29) W106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.17 C 0.17 Q 0.1 R 0.09 H 0.08 W 0.08 E 0.06 V 0.01 C Shift Assignments>> C :: 175.0 CA :: 56.0 CB :: 32.6 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 :: 8.60 HA :: 5.62 HB2 :: 3.86 HB3 :: 3.43 HD1 :: 6.86 HE1 :: 9.76 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 :: 120.2 NE1 :: 135.8 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 173.0 CA :: 62.3 CB :: 72.8 CG2 :: 22.8 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.58 HA :: 5.65 HB :: 4.13 HG2 :: 1.50 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 :: 120.1 Ave N Shift Values>> N :: 115.7(5.05) Q108 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Suspicious H Shifts: Anomalous N Shifts: Suspicious PRTL>> C 0.94 M 0.04 E 0.01 C Shift Assignments>> C :: 174.1 CA :: 54.5 CB :: 36.2(S) CG :: 35.7 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 10.03 HA :: 6.08(S) HB2 :: 2.06 HB3 :: 2.06 HG2 :: 1.95 HG3 :: 1.95 HE21 :: 3.78(M) HE22 :: 3.59(M) 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 :: 131.7 NE2 :: 102.0(S) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) SRO Rule Breaks>> (HE21 > HA : 0.9988) (HE22 > HA : 0.9976) W109 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.15 K 0.13 M 0.12 R 0.12 W 0.12 E 0.1 H 0.09 Q 0.05 V 0.04 I 0.01 C Shift Assignments>> C :: 171.9 CA :: 57.8 CB :: 31.8 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.64 HA :: 5.45 HB2 :: 3.79 HB3 :: 3.59 HD1 :: 7.04 HE1 :: 11.25 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 :: 129.9 NE1 :: 137.9(M) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 176.8 CA :: 59.7 CB :: 41.2 CG1 :: 28.0 CG2 :: 18.4 CD1 :: 14.4 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.35 HA :: 5.17 HB :: 1.60 HG2 :: 0.97 HG12 :: 1.31 HG13 :: 0.77 HD1 :: 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 :: 124.1 Ave N Shift Values>> N :: 121.6(4.72) E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.26 M 0.24 Q 0.1 K 0.05 C Shift Assignments>> C :: 176.9 CA :: 55.3 CB :: 31.2 CG :: 35.4 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 :: 9.07 HA :: 4.68 HB2 :: 1.97 HB3 :: 1.97 HG2 :: 2.27 HG3 :: 2.04 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 :: 129.8 Ave N Shift Values>> N :: 120.68(3.68) G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.26 P 0.07 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 173.8 CA :: 47.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.22 HA2 :: 4.10 HA3 :: 3.73 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 109.91(4.29) D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.25 C 0.12 L 0.11 F 0.07 Y 0.06 K 0.03 C Shift Assignments>> C :: 174.5 CA :: 53.2 CB :: 40.3 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 :: 8.56 HA :: 4.84 HB2 :: 3.04 HB3 :: 2.77 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 :: 130.8 Ave N Shift Values>> N :: 120.73(4.2) E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.32 E 0.19 Q 0.03 C Shift Assignments>> C :: 174.9 CA :: 54.3 CB :: 32.5 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 :: 8.41 HA :: 5.55 HB2 :: 2.58 HB3 :: 1.77 HG2 :: 2.62 HG3 :: 2.05 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.9 Ave N Shift Values>> N :: 120.68(3.68) L115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 G 0.19 C 0.19 R 0.03 C Shift Assignments>> C :: 174.6 CA :: 53.9 CB :: 43.9 CG :: 26.5 CD1 :: 25.4 CD2 :: 24.8 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 :: 8.93 HA :: 4.46 HB2 :: 0.99 HB3 :: -0.11(S) HG :: 0.73 HD1 :: -0.17(S) HD2 :: -0.42(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.2 Ave N Shift Values>> N :: 121.98(4.07) H116 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.18 K 0.16 C 0.16 R 0.11 H 0.1 W 0.09 Q 0.07 E 0.07 V 0.01 C Shift Assignments>> C :: 173.0 CA :: 55.8 CB :: 32.3 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 :: 9.24 HA :: 4.19 HB2 :: 0.78(S) HB3 :: 0.52(M) HD2 :: 6.58 HE1 :: 7.22 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 :: 131.9 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.3 L 0.15 A 0.12 C Shift Assignments>> C :: 174.0 CA :: 53.2 CB :: 46.6 CG :: 27.1 CD1 :: 22.8 CD2 :: 22.8 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 :: 8.50 HA :: 5.22 HB2 :: 1.73 HB3 :: 0.89 HG :: 0.49 HD1 :: 0.69 HD2 :: 0.69 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.0 Ave N Shift Values>> N :: 121.98(4.07) E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 M 0.03 E 0.03 K 0.01 C Shift Assignments>> C :: 175.6 CA :: 54.3 CB :: 33.8 CG :: 38.8 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.49 HA :: 5.41 HB2 :: 2.24 HB3 :: 2.24 HG2 :: 2.45 HG3 :: 2.14 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 :: 131.6 Ave N Shift Values>> N :: 120.68(3.68) M119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 M 0.3 E 0.2 Q 0.11 K 0.04 C Shift Assignments>> C :: 174.0 CA :: 54.4 CB :: 35.2 CG :: 31.5 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 :: 9.42 HA :: 5.09 HB2 :: 1.70 HB3 :: 1.31 HG2 :: 1.89 HG3 :: 1.74 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 :: 126.8 Ave N Shift Values>> N :: 120.1(3.88) R120 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.63 K 0.18 R 0.09 G 0.08 C Shift Assignments>> C :: 176.6 CA :: 54.2 CB :: 35.2 CG :: 26.7 CD :: 42.9 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 :: 9.10 HA :: 5.99(M) HB2 :: 1.85 HB3 :: 1.72 HG2 :: 1.95 HG3 :: 1.61 HD2 :: 3.30 HD3 :: 3.06 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 :: 123.3 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 M 0.3 L 0.2 C 0.09 V 0.02 T 0.01 C Shift Assignments>> C :: 175.6 CA :: 54.1 CB :: 21.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.55 HA :: 4.20 HB :: 1.22 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 123.23(3.7) E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.22 K 0.12 I 0.1 Q 0.08 R 0.01 C Shift Assignments>> C :: 176.0 CA :: 57.1 CB :: 27.2 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 :: 8.93 HA :: 3.73 HB2 :: 2.43 HB3 :: 1.85 HG2 :: 2.35 HG3 :: 2.35 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 :: 121.5 Ave N Shift Values>> N :: 120.68(3.68) G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 175.3 CA :: 45.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.93 HA2 :: 4.20 HA3 :: 3.59 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.1 Ave N Shift Values>> N :: 109.91(4.29) V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.26 C Shift Assignments>> C :: 175.5 CA :: 62.2 CB :: 32.9 CG1 :: 21.3 CG2 :: 21.6 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 :: 8.43 HA :: 4.20 HB :: 2.31 HG1 :: 0.98 HG2 :: 0.92 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 :: 128.1 Ave N Shift Values>> N :: 121.02(4.96) T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> F64 C Shift Assignments>> C :: 173.8 CA :: 61.6 CB :: 71.1 CG2 :: 21.9 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 :: 8.56 HA :: 5.34 HB :: 3.93 HG2 :: 1.13 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.3 Ave N Shift Values>> N :: 115.7(5.05) C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 C 0.11 W 0.11 E 0.1 R 0.1 L 0.04 M 0.03 I 0.01 HN Overlap>> L11 C Shift Assignments>> C :: 172.6 CA :: 55.9 CB :: 28.8 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.58 HA :: 5.17 HB2 :: 3.18 HB3 :: 3.18 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 :: 131.0 Ave N Shift Values>> N :: 119.95(4.79) K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.24 K 0.14 R 0.09 C Shift Assignments>> C :: 175.3 CA :: 53.2 CB :: 34.8 CG :: 24.9 CD :: 27.2 CE :: 43.6 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 :: 8.27 HA :: 5.49 HB2 :: 1.95 HB3 :: 1.72 HG2 :: 0.92 HG3 :: 0.92 HD2 :: 1.94 HD3 :: 1.84 HE2 :: 2.88 HE3 :: 2.88 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 :: 132.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q128 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.5 C 0.34 Q 0.1 K 0.02 E 0.01 C Shift Assignments>> C :: 173.0 CA :: 53.1 CB :: 32.2 CG :: 32.9 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 :: 9.65 HA :: 4.87 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 1.38 HG3 :: 1.38 HE21 :: 6.23 HE22 :: 4.86(S) 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 :: 132.4 NE2 :: 108.8 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) SRO Rule Breaks>> (HE22 > HA : 0.9976) V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 174.6 CA :: 60.2 CB :: 33.8 CG1 :: 21.5 CG2 :: 21.5 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 :: 7.46 HA :: 4.67 HB :: 1.56 HG1 :: 0.35 HG2 :: 0.35 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.1 Ave N Shift Values>> N :: 121.02(4.96) F130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.26 G 0.13 C 0.12 D 0.06 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 174.3 CA :: 55.2 CB :: 43.9 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 :: 9.43 HA :: 5.16 HB2 :: 2.80 HB3 :: 2.80 HD1 :: 6.76 HD2 :: 6.76 HE1 :: 6.89 HE2 :: 6.89 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.0 Ave N Shift Values>> N :: 120.69(4.18) K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.25 R 0.23 G 0.02 M 0.01 HN Overlap>> F4 C Shift Assignments>> C :: 176.0 CA :: 54.3 CB :: 36.6 CG :: 24.8 CD :: 29.2 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 :: 9.77 HA :: 5.32 HB2 :: 2.00 HB3 :: 1.73 HG2 :: 1.54 HG3 :: 0.86 HD2 :: 1.74 HD3 :: 1.74 HE2 :: 3.06 HE3 :: 3.06 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 :: 127.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.24 G 0.01 M 0.01 C Shift Assignments>> C :: 176.6 CA :: 58.2 CB :: 32.8 CG :: 24.6 CD :: 28.4 CE :: 42.5 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 :: 8.94 HA :: 3.61 HB2 :: 1.36 HB3 :: 1.16 HG2 :: 0.72 HG3 :: -0.19(S) HD2 :: 1.03 HD3 :: 1.03 HE2 :: 2.51 HE3 :: 2.51 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 :: 132.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.7 CA :: 62.7 CB :: 32.8 CG1 :: 22.3 CG2 :: 22.3 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 :: 8.86 HA :: 4.12 HB :: 1.99 HG1 :: 1.04 HG2 :: 1.04 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 :: 130.0 Ave N Shift Values>> N :: 121.02(4.96) H134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.14 C 0.13 H 0.13 Q 0.1 M 0.08 K 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 179.0 CA :: 57.3 CB :: 30.7 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 :: 7.89 HA :: 4.33 HB2 :: 3.17 HB3 :: 3.04 HD2 :: 6.98 HE1 :: 8.44 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 :: 130.0 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 0 #Suspicious: 11 #Anomalous: 11 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 134 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 131 #Suspicious: 3 C Shift Results: #Consistent: 547 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 785 #Duplicate: 0 #Unknown: 0 #Suspicious: 18 #Anomalous: 7 N Shift Results: #Consistent: 138 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 6 Error Summary: P1 C = 171.0(S), Expected = 176.70, Std = 1.6900, ChiSquare = 7.4413e-04 P1 HA = 3.02(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.1287e-04 N5 HD21 = 9.60(M), Expected = 7.27, Std = 0.5200, ChiSquare = 7.4374e-06 N5 ND2 = 125.6(M), Expected = 112.83, Std = 2.6000, ChiSquare = 9.0365e-07 N13 HD22 = 4.38(S), Expected = 7.20, Std = 0.5200, ChiSquare = 5.8582e-08 N13 SRO Rule Break>> HD22 > HA : 0.996558505408063 L20 HG = 0.06(S), Expected = 1.54, Std = 0.3300, ChiSquare = 7.2966e-06 K40 HB3 = 0.72(S), Expected = 1.78, Std = 0.2600, ChiSquare = 4.5636e-05 K40 HG2 = 0.11(S), Expected = 1.38, Std = 0.2700, ChiSquare = 2.5548e-06 K40 HG3 = -0.23(S), Expected = 1.37, Std = 0.2900, ChiSquare = 3.4436e-08 K40 HD3 = 0.30(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.6058e-07 Q44 N = 135.6(S), Expected = 119.92, Std = 4.0100, ChiSquare = 9.2210e-05 M49 HG2 = 1.08(S), Expected = 2.44, Std = 0.3600, ChiSquare = 1.5823e-04 M49 HG3 = 0.98(S), Expected = 2.41, Std = 0.4000, ChiSquare = 3.5023e-04 M49 N = 132.4(M), Expected = 120.10, Std = 3.8800, ChiSquare = 1.5238e-03 R52 N = 135.0(S), Expected = 120.61, Std = 3.9000, ChiSquare = 2.2448e-04 I61 N = 138.1(M), Expected = 121.60, Std = 4.7200, ChiSquare = 4.7271e-04 E69 N = 135.6(S), Expected = 120.68, Std = 3.6800, ChiSquare = 5.0274e-05 E72 N = 138.6(M), Expected = 120.68, Std = 3.6800, ChiSquare = 1.1184e-06 R80 CD = 39.1(S), Expected = 43.10, Std = 1.1000, ChiSquare = 2.7651e-04 T84 HB = 2.44(S), Expected = 4.17, Std = 0.3700, ChiSquare = 2.9299e-06 T84 N = 134.0(M), Expected = 115.70, Std = 5.0500, ChiSquare = 2.9035e-04 C95 HB2 = 0.24(M), Expected = 2.95, Std = 0.4300, ChiSquare = 2.9321e-10 C95 HB3 = -0.03(S), Expected = 2.98, Std = 0.4500, ChiSquare = 2.2487e-11 Q97 HE21 = 9.16(M), Expected = 7.17, Std = 0.4600, ChiSquare = 1.5178e-05 Q108 CB = 36.2(S), Expected = 29.10, Std = 1.9700, ChiSquare = 3.1328e-04 Q108 HA = 6.08(S), Expected = 4.28, Std = 0.4400, ChiSquare = 4.2969e-05 Q108 HE21 = 3.78(M), Expected = 7.17, Std = 0.4600, ChiSquare = 1.7119e-13 Q108 HE22 = 3.59(M), Expected = 7.07, Std = 0.4900, ChiSquare = 1.2293e-12 Q108 NE2 = 102.0(S), Expected = 111.81, Std = 2.2000, ChiSquare = 8.2308e-06 Q108 SRO Rule Break>> HE21 > HA : 0.998812351543943 Q108 SRO Rule Break>> HE22 > HA : 0.997619047619048 W109 NE1 = 137.9(M), Expected = 129.48, Std = 2.5600, ChiSquare = 1.0052e-03 L115 HB3 = -0.11(S), Expected = 1.57, Std = 0.3600, ChiSquare = 3.0613e-06 L115 HD1 = -0.17(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9865e-04 L115 HD2 = -0.42(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.5057e-05 H116 HB2 = 0.78(S), Expected = 3.12, Std = 0.4300, ChiSquare = 5.2727e-08 H116 HB3 = 0.52(M), Expected = 3.11, Std = 0.4500, ChiSquare = 8.6357e-09 R120 HA = 5.99(M), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2644e-05 Q128 HE22 = 4.86(S), Expected = 7.07, Std = 0.4900, ChiSquare = 6.4765e-06 Q128 SRO Rule Break>> HE22 > HA : 0.997619047619048 K132 HG3 = -0.19(S), Expected = 1.37, Std = 0.2900, ChiSquare = 7.4772e-08