M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.82 M 0.13 C 0.02 C Shift Assignments>> C :: 173.8 CA :: 51.6 CB :: 19.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.14 HB :: 1.52 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.3 CA :: 63.1 CB :: 69.1 CG2 :: 23.6 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.72 HA :: 4.67 HB :: 3.86 HG2 :: 1.26 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 115.7(5.05) K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 K 0.07 M 0.04 A 0.01 C Shift Assignments>> C :: 174.0 CA :: 54.5 CB :: 35.5 CG :: 24.5 CD :: 29.1 CE :: 39.1 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 :: 8.76 HA :: 4.68 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 2.94 HE3 :: 2.94 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 :: 126.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.29 G 0.01 C Shift Assignments>> C :: 173.2 CA :: 58.9 CB :: 41.8 CG1 :: 29.6 CG2 :: 15.2 CD1 :: 14.1 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 :: 8.58 HA :: 4.85 HB :: 1.32 HG2 :: 0.76 HG12 :: 0.27 HG13 :: 1.47 HD1 :: 0.34 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.5 Ave N Shift Values>> N :: 121.6(4.72) D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.29 C 0.12 L 0.07 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 176.2 CA :: 52.1 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 :: 8.20 HA :: 4.77 HB2 :: 3.06 HB3 :: 2.42 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.7 Ave N Shift Values>> N :: 120.73(4.2) K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.3 R 0.18 C Shift Assignments>> C :: 177.8 CA :: 61.6 CB :: 32.7 CG :: 26.6 CD :: 29.2 CE :: 41.6 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.18 HA :: 3.38 HB2 :: 1.65 HB3 :: 1.79 HG2 :: 1.02 HG3 :: 1.45 HD2 :: 1.61 HD3 :: 1.61 HE2 :: 2.85 HE3 :: 2.75 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 :: 126.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 I 0.26 K 0.07 Q 0.02 C Shift Assignments>> C :: 179.6 CA :: 59.6 CB :: 28.7 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 :: 8.65 HA :: 4.01 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.33 HG3 :: 2.33 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 120.68(3.68) A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.45 C 0.03 I 0.01 HN Overlap>> A92 C Shift Assignments>> C :: 181.7 CA :: 54.7 CB :: 18.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.86 HA :: 4.25 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 :: 122.5 Ave N Shift Values>> N :: 123.23(3.7) C10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 I 0.39 C 0.04 C Shift Assignments>> C :: 176.2 CA :: 64.6 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 :: 8.37 HA :: 4.19 HB2 :: 2.70 HB3 :: 2.10 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 :: 115.6 Ave N Shift Values>> N :: 119.95(4.79) R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.1 K 0.06 C Shift Assignments>> C :: 177.4 CA :: 59.8 CB :: 29.9 CG :: 27.6 CD :: 43.4 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.80 HA :: 3.72 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 1.69 HG3 :: 1.69 HD2 :: 3.18 HD3 :: 3.24 HE :: 7.50 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.8 NE :: 116.1 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 180.0 CA :: 55.2 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 :: 7.57 HA :: 4.18 HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 123.23(3.7) A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 178.2 CA :: 54.9 CB :: 18.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.17 HA :: 4.23 HB :: 1.60 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 123.23(3.7) Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 Y 0.22 F 0.21 C 0.18 E 0.02 C Shift Assignments>> C :: 176.4 CA :: 60.5 CB :: 38.8 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 :: 8.09 HA :: 4.12 HB2 :: 3.14 HB3 :: 2.73 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 120.79(4.69) N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 N 0.42 D 0.08 C Shift Assignments>> C :: 177.7 CA :: 55.3 CB :: 37.5 CG :: 175.8 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 :: 8.56 HA :: 4.00 HB2 :: 2.69 HB3 :: 2.83 HD21 :: 7.49 HD22 :: 6.78 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 :: 116.4 ND2 :: 110.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.37 G 0.03 A 0.01 V 0.01 HN Overlap>> E128 C Shift Assignments>> C :: 178.8 CA :: 58.1 CB :: 42.3 CG :: 26.4 CD1 :: 21.9 CD2 :: 21.9 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.63 HA :: 4.19 HB2 :: 1.87 HB3 :: 1.75 HG :: 1.67 HD1 :: 0.93 HD2 :: 0.85 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.6 Ave N Shift Values>> N :: 121.98(4.07) V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 177.7 CA :: 64.8 CB :: 32.2 CG1 :: 24.9 CG2 :: 23.2 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.13 HA :: 3.80 HB :: 2.20 HG1 :: 1.02 HG2 :: 0.89 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.7 Ave N Shift Values>> N :: 121.02(4.96) R18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.17 L 0.02 G 0.02 C Shift Assignments>> C :: 175.5 CA :: 57.54 CB :: 30.01 CG :: 27.02 CD :: 42.5 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 :: 7.39 HA :: 4.02 HB2 :: 1.40 HB3 :: 1.61 HG2 :: 1.19 HG3 :: 0.86 HD2 :: 2.37(S) HD3 :: 2.49 HE :: 6.73 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.4 NE :: 114.8 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.17 N 0.13 C 0.11 K 0.09 F 0.07 Y 0.06 R 0.02 C Shift Assignments>> C :: 176.5 CA :: 53.8 CB :: 41.0 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 :: 7.21 HA :: 4.48 HB2 :: 3.02 HB3 :: 2.67 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 120.73(4.2) D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 D 0.16 Y 0.15 L 0.14 C 0.14 K 0.11 N 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 177.3 CA :: 56.3 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 :: 8.63 HA :: 4.31 HB2 :: 2.66 HB3 :: 2.66 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.0 Ave N Shift Values>> N :: 120.73(4.2) G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.7 CA :: 45.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.72 HA2 :: 3.68 HA3 :: 4.13 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.2 Ave N Shift Values>> N :: 109.91(4.29) S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9 CA :: 57.4 CB :: 64.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.64 HA :: 4.39 HB2 :: 4.00 HB3 :: 4.00 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.3 Ave N Shift Values>> N :: 116.3(3.95) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> C :: 176.7 CA :: 52.7 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 :: 8.59 HA :: 4.18 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 :: 125.8 Ave N Shift Values>> N :: 123.23(3.7) V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 175.0 CA :: 63.4 CB :: 32.3 CG1 :: 21.2 CG2 :: 22.2 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.72 HA :: 3.40 HB :: 1.67 HG1 :: 0.69 HG2 :: 0.61 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 121.02(4.96) I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> V105 C Shift Assignments>> C :: 173.8 CA :: 60.8 CB :: 39.3 CG1 :: 27.3 CG2 :: 18.2 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 :: 8.05 HA :: 4.52 HB :: 2.29 HG2 :: 0.93 HG12 :: 1.17 HG13 :: 1.46 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 :: 119.2 Ave N Shift Values>> N :: 121.6(4.72) W26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.19 K 0.16 Q 0.13 H 0.08 R 0.07 W 0.06 E 0.03 C Shift Assignments>> C :: 173.3 CA :: 54.6 CB :: 32.9 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.62 HA :: 5.65 HB2 :: 2.86 HB3 :: 2.71 HE1 :: 9.31 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 :: 116.1 NE1 :: 126.9 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.3 C Shift Assignments>> C :: 174.6 CA :: 59.6 CB :: 35.0 CG1 :: 19.3 CG2 :: 21.1 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 :: 8.30 HA :: 4.97 HB :: 2.09 HG1 :: 0.88 HG2 :: 0.90 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 :: 112.5 Ave N Shift Values>> N :: 121.02(4.96) T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.44 A 0.04 C Shift Assignments>> C :: 173.9 CA :: 58.7 CB :: 72.8 CG2 :: 20.9 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 :: 8.33 HA :: 5.59 HB :: 4.45 HG2 :: 1.47 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 :: 110.4 Ave N Shift Values>> N :: 115.7(5.05) F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.18 D 0.17 C 0.17 L 0.1 N 0.09 K 0.03 I 0.02 C Shift Assignments>> C :: 173.9 CA :: 56.0 CB :: 39.8 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 :: 9.74 HA :: 5.35 HB2 :: 2.94 HB3 :: 2.94 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 120.69(4.18) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.19 R 0.15 G 0.02 A 0.02 M 0.02 C Shift Assignments>> C :: 174.0 CA :: 53.1 CB :: 37.0 CG :: 24.2 CD :: 29.6 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 :: 9.47 HA :: 5.22 HB2 :: 1.83 HB3 :: 2.09 HG2 :: 1.09 HG3 :: 1.37 HD2 :: 1.77 HD3 :: 1.77 HE2 :: 3.05 HE3 :: 2.91 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 :: 120.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 C 0.21 I 0.19 E 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 176.9 CA :: 59.0 CB :: 38.7 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.91 HA :: 4.53 HB2 :: 2.92 HB3 :: 2.92 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.6 Ave N Shift Values>> N :: 120.79(4.69) D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.17 N 0.16 C 0.11 K 0.08 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 176.8 CA :: 52.6 CB :: 41.3 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 :: 9.42 HA :: 4.84 HB2 :: 2.93 HB3 :: 2.34 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 :: 126.6 Ave N Shift Values>> N :: 120.73(4.2) G33 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 HN Overlap>> N123 C Shift Assignments>> C :: 175.1 CA :: 47.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.72 HA2 :: 4.13 HA3 :: 3.65 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.9 Ave N Shift Values>> N :: 109.91(4.29) S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.3 CA :: 57.8 CB :: 63.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.85 HA :: 4.79 HB2 :: 4.06 HB3 :: 4.06 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.9 Ave N Shift Values>> N :: 116.3(3.95) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 172.7 CA :: 61.3 CB :: 70.2 CG2 :: 19.1 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.82 HA :: 4.86 HB :: 4.04 HG2 :: 0.99 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 115.7(5.05) I36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 174.1 CA :: 61.6 CB :: 38.1 CG1 :: 27.6 CG2 :: 17.3 CD1 :: 14.2 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 :: 8.89 HA :: 4.50 HB :: 1.14 HG2 :: 0.52 HG12 :: 1.18 HG13 :: -0.21(S) HD1 :: 0.38 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 :: 128.3 Ave N Shift Values>> N :: 121.6(4.72) V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.13 A 0.04 C Shift Assignments>> C :: 173.2 CA :: 58.1 CB :: 33.5 CG1 :: 18.4 CG2 :: 22.4 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 :: 9.03 HA :: 4.78 HB :: 2.39 HG1 :: 0.76 HG2 :: 0.98 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 121.02(4.96) P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.12 V 0.03 R 0.02 C Shift Assignments>> C :: 176.5 CA :: 64.1 CB :: 31.7 CG :: 26.3 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.79 HB2 :: 2.28 HB3 :: 2.02 HG2 :: 1.77 HG3 :: 2.18 HD2 :: 3.01 HD3 :: 3.81 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) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.4 CA :: 44.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.96 HA2 :: 4.40 HA3 :: 3.41 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.1 Ave N Shift Values>> N :: 109.91(4.29) E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.31 M 0.22 Q 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 173.9 CA :: 55.8 CB :: 31.8 CG :: 36.3 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 :: 8.36 HA :: 4.46 HB2 :: 2.25 HB3 :: 1.88 HG2 :: 2.47 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 :: 125.0 Ave N Shift Values>> N :: 120.68(3.68) Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 Q 0.22 E 0.01 C Shift Assignments>> C :: 174.1 CA :: 52.7 CB :: 32.3 CG :: 32.3 CD :: 179.7 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 :: 8.13 HA :: 4.38 HB2 :: 2.17 HB3 :: 1.85 HG2 :: 1.68 HG3 :: 1.68 HE21 :: 7.30 HE22 :: 6.40 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 :: 117.1 NE2 :: 109.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 170.8 CA :: 45.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.71 HA2 :: 3.99 HA3 :: 3.44 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.7 Ave N Shift Values>> N :: 109.91(4.29) A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.27 M 0.16 C 0.11 K 0.01 C Shift Assignments>> C :: 176.8 CA :: 52.2 CB :: 22.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.21 HA :: 4.69 HB :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 123.23(3.7) E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 C 0.26 Q 0.22 K 0.1 E 0.07 R 0.01 C Shift Assignments>> C :: 178.2 CA :: 54.9 CB :: 31.1 CG :: 33.5 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 :: 8.19 HA :: 4.83 HB2 :: 2.04 HB3 :: 1.91 HG2 :: 2.19 HG3 :: 2.19 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.6 Ave N Shift Values>> N :: 120.68(3.68) Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.14 F 0.09 Y 0.09 C Shift Assignments>> C :: 177.3 CA :: 63.5 CB :: 38.4 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 :: 9.97 HA :: 3.82 HB2 :: 2.93 HB3 :: 3.10 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 :: 132.3 Ave N Shift Values>> N :: 120.79(4.69) Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Q 0.4 E 0.04 C Shift Assignments>> C :: 177.9 CA :: 58.9 CB :: 27.3 CG :: 33.0 CD :: 179.5 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.36 HA :: 3.79 HB2 :: 2.07 HB3 :: 1.95 HG2 :: 2.30 HG3 :: 2.20 HE21 :: 7.50 HE22 :: 6.92 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.4 NE2 :: 112.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.13 E 0.13 C 0.13 H 0.12 M 0.09 Q 0.09 K 0.08 V 0.02 I 0.01 C Shift Assignments>> C :: 177.1 CA :: 57.3 CB :: 30.9 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 :: 7.17 HA :: 4.41 HB2 :: 3.58 HB3 :: 3.58 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.26 E 0.16 K 0.12 Q 0.11 M 0.11 V 0.07 Y 0.03 I 0.03 W 0.03 R 0.01 H 0.01 F 0.01 C Shift Assignments>> C :: 176.8 CA :: 58.8 CB :: 34.7 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 :: 6.97 HA :: 2.36(M) HB2 :: 1.92 HB3 :: 0.31(M) 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 :: 122.0 Ave N Shift Values>> N :: 120.69(4.18) I49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.3 CA :: 65.2 CB :: 36.8 CG1 :: 28.2 CG2 :: 16.5 CD1 :: 13.0 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.40 HA :: 2.27(S) HB :: 1.50 HG2 :: 0.48 HG12 :: 0.47 HG13 :: 1.06 HD1 :: 0.75 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 121.6(4.72) Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 Q 0.42 E 0.14 C Shift Assignments>> C :: 177.1 CA :: 57.3 CB :: 28.3 CG :: 33.8 CD :: 179.7 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 :: 6.59 HA :: 3.62 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 2.27 HG3 :: 2.37 HE21 :: 7.37 HE22 :: 6.74 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 :: 113.8 NE2 :: 111.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.48 C 0.45 E 0.05 C Shift Assignments>> C :: 176.3 CA :: 55.4 CB :: 28.4 CG :: 33.3 CD :: 178.8 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.13 HA :: 3.77 HB2 :: 1.71 HB3 :: 2.03 HG2 :: 2.39 HG3 :: 1.96 HE21 :: 7.45 HE22 :: 6.95 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 :: 114.5 NE2 :: 114.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.3 L 0.25 C 0.15 I 0.06 V 0.06 R 0.05 M 0.04 T 0.03 Q 0.01 C Shift Assignments>> C :: 173.7 CA :: 58.2 CB :: 23.9 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.51 HA :: 3.03 HB2 :: 1.57 HB3 :: -0.79(M) 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 :: 118.5 Ave N Shift Values>> N :: 119.95(4.79) T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 176.7 CA :: 60.4 CB :: 70.2 CG2 :: 18.9 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 :: 6.76 HA :: 4.42 HB :: 4.58 HG2 :: 1.00 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.6 Ave N Shift Values>> N :: 115.7(5.05) D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.17 Y 0.16 C 0.14 L 0.14 D 0.1 R 0.03 I 0.03 N 0.01 C Shift Assignments>> C :: 175.0 CA :: 57.2 CB :: 41.0 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 :: 9.08 HA :: 4.73 HB2 :: 2.76 HB3 :: 2.63 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.73(4.2) D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 K 0.13 C 0.1 R 0.08 N 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.4 CA :: 53.6 CB :: 42.0 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 :: 8.19 HA :: 4.59 HB2 :: 2.56 HB3 :: 2.76 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 :: 114.0 Ave N Shift Values>> N :: 120.73(4.2) V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.31 C Shift Assignments>> C :: 173.6 CA :: 59.8 CB :: 35.9 CG1 :: 20.2 CG2 :: 20.8 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 :: 7.28 HA :: 4.88 HB :: 2.19 HG1 :: 1.16 HG2 :: 1.02 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 :: 115.1 Ave N Shift Values>> N :: 121.02(4.96) R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 G 0.32 R 0.2 K 0.07 HN Overlap>> K93 C Shift Assignments>> C :: 174.1 CA :: 52.7 CB :: 33.0 CG :: 26.0 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 :: 7.93 HA :: 5.53 HB2 :: 1.90 HB3 :: 1.62 HG2 :: 1.73 HG3 :: 1.63 HD2 :: 2.81 HD3 :: 2.98 HE :: 6.69 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 :: 118.2 NE :: 116.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.26 L 0.17 R 0.05 C Shift Assignments>> C :: 173.7 CA :: 54.9 CB :: 45.1 CG :: 26.1 CD1 :: 24.7 CD2 :: 27.4 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 :: 9.47 HA :: 4.85 HB2 :: 2.25 HB3 :: 1.86 HG :: 1.86 HD1 :: 0.94 HD2 :: 0.94 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 121.98(4.07) F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.18 K 0.16 D 0.13 C 0.1 F 0.06 Y 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 175.2 CA :: 55.4 CB :: 42.5 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 :: 8.78 HA :: 5.89 HB2 :: 3.12 HB3 :: 3.12 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 :: 117.0 Ave N Shift Values>> N :: 120.69(4.18) A60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.37 L 0.26 C 0.16 K 0.08 R 0.04 M 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 174.3 CA :: 51.0 CB :: 25.0(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.09 HA :: 5.54 HB :: 1.21 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) F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.24 C 0.11 K 0.11 F 0.07 D 0.06 Y 0.05 G 0.03 C Shift Assignments>> C :: 173.9 CA :: 56.6 CB :: 43.1 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.68 HA :: 5.88 HB2 :: 3.12 HB3 :: 2.95 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 120.69(4.18) V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.3 I 0.02 C Shift Assignments>> C :: 173.4 CA :: 60.3 CB :: 36.3 CG1 :: 20.2 CG2 :: 21.7 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 :: 8.24 HA :: 4.96 HB :: 1.66 HG1 :: 0.37 HG2 :: 0.32 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 :: 124.8 Ave N Shift Values>> N :: 121.02(4.96) R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.24 K 0.2 G 0.11 C Shift Assignments>> C :: 174.1 CA :: 54.8 CB :: 33.6 CG :: 28.0 CD :: 43.5 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.88 HA :: 4.20 HB2 :: 1.46 HB3 :: 1.64 HG2 :: 2.27 HD2 :: 3.09 HD3 :: 2.57 HE :: 6.93 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 :: 126.4 NE :: 115.1 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.17 F 0.14 C 0.12 Y 0.11 D 0.09 R 0.08 I 0.02 N 0.01 HN Overlap>> S87 C Shift Assignments>> C :: 175.3 CA :: 57.0 CB :: 41.6 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 :: 8.77 HA :: 4.56 HB2 :: 2.64 HB3 :: 2.50 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 :: 124.5 Ave N Shift Values>> N :: 120.69(4.18) T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.3 CA :: 62.0 CB :: 70.1 CG2 :: 21.8 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 :: 8.86 HA :: 4.83 HB :: 3.95 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 :: 119.4 Ave N Shift Values>> N :: 115.7(5.05) T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.19 C Shift Assignments>> C :: 173.9 CA :: 60.6 CB :: 70.5 CG2 :: 18.6 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.55 HA :: 4.60 HB :: 4.16 HG2 :: 1.00 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.3 Ave N Shift Values>> N :: 115.7(5.05) G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.2 CA :: 44.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.27 HA2 :: 4.27 HA3 :: 3.87 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.7 Ave N Shift Values>> N :: 109.91(4.29) D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 K 0.11 C 0.1 R 0.09 N 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.8 CA :: 53.1 CB :: 42.2 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 :: 7.99 HA :: 4.62 HB2 :: 2.77 HB3 :: 2.63 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 120.73(4.2) A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 178.7 CA :: 54.5 CB :: 18.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.42 HA :: 4.02 HB :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.7 Ave N Shift Values>> N :: 123.23(3.7) M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.38 Q 0.1 K 0.06 E 0.01 R 0.01 C Shift Assignments>> C :: 176.8 CA :: 56.3 CB :: 32.1 CG :: 31.9 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 :: 8.24 HA :: 4.46 HB2 :: 2.63 HB3 :: 2.49 HG2 :: 2.09 HG3 :: 2.14 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 :: 116.1 Ave N Shift Values>> N :: 120.1(3.88) S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7 CA :: 57.5 CB :: 63.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.03 HA :: 4.52 HB2 :: 3.85 HB3 :: 3.85 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) K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 C Shift Assignments>> C :: 176.7 CA :: 56.7 CB :: 32.9 CG :: 24.4 CD :: 29.0 CE :: 41.8 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 :: 8.04 HA :: 4.52 HB2 :: 1.68 HB3 :: 1.68 HG2 :: 1.35 HG3 :: 1.28 HD2 :: 1.55 HD3 :: 1.55 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 :: 123.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.37 K 0.17 G 0.06 C Shift Assignments>> C :: 175.7 CA :: 55.1 CB :: 32.5 CG :: 26.6 CD :: 43.2 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.54 HA :: 4.55 HB2 :: 1.67 HB3 :: 1.75 HG2 :: 1.57 HG3 :: 1.57 HD2 :: 3.17 HD3 :: 3.11 HE :: 7.20 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.5 NE :: 116.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.4 CA :: 58.1 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 :: 8.63 HA :: 5.17 HB2 :: 3.50 HB3 :: 3.21 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 :: 118.0 Ave N Shift Values>> N :: 116.3(3.95) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 K 0.01 C Shift Assignments>> C :: 174.1 CA :: 54.5 CB :: 37.8 CG :: 25.5 CE :: 39.6 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 :: 8.61 HA :: 4.60 HB2 :: 1.57 HB3 :: 1.57 HG2 :: 1.38 HG3 :: 1.38 HE2 :: 2.87 HE3 :: 2.87 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 R 0.21 K 0.17 C 0.1 D 0.08 F 0.08 Y 0.06 G 0.01 C Shift Assignments>> C :: 175.2 CA :: 56.4 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 :: 8.62 HA :: 5.58 HB2 :: 2.97 HB3 :: 2.97 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 120.69(4.18) A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.24 A 0.2 M 0.07 K 0.04 P 0.03 HN Overlap>> A109 C Shift Assignments>> C :: 174.8 CA :: 50.2 CB :: 23.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.36 HA :: 5.60 HB :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.5 Ave N Shift Values>> N :: 123.23(3.7) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 C 0.23 G 0.2 A 0.11 R 0.1 C Shift Assignments>> C :: 175.0 CA :: 53.7 CB :: 43.8 CG :: 27.0 CD1 :: 22.4 CD2 :: 26.2 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.76 HA :: 5.54 HB2 :: 1.15 HB3 :: 0.74 HG :: 1.68 HD1 :: 0.97 HD2 :: 0.39 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 :: 122.3 Ave N Shift Values>> N :: 121.98(4.07) I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.16 G 0.13 C Shift Assignments>> C :: 174.9 CA :: 60.6 CB :: 42.9 CG1 :: 28.6 CG2 :: 16.5 CD1 :: 17.3 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 :: 9.81 HA :: 4.95 HB :: 1.79 HG2 :: 0.99 HG12 :: 1.68 HG13 :: 1.05 HD1 :: 0.86 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.2 Ave N Shift Values>> N :: 121.6(4.72) T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> E122 C Shift Assignments>> C :: 172.9 CA :: 63.3 CB :: 69.0 CG2 :: 20.9 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 :: 9.05 HA :: 4.82 HB :: 4.24 HG2 :: 0.95 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 :: 126.2 Ave N Shift Values>> N :: 115.7(5.05) W81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 C 0.14 M 0.13 W 0.11 E 0.1 Q 0.09 K 0.09 HN Overlap>> I114 C Shift Assignments>> C :: 174.6 CA :: 55.1 CB :: 31.0 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 :: 9.26 HA :: 5.52 HB2 :: 2.90 HB3 :: 2.90 HE1 :: 10.11 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 :: 128.9 NE1 :: 128.5 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 174.2 CA :: 59.6 CB :: 39.4 CG1 :: 27.3 CG2 :: 18.2 CD1 :: 14.2 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 :: 7.33 HA :: 3.79 HB :: 1.18 HG2 :: 0.54 HG12 :: 1.30 HG13 :: 0.65 HD1 :: 0.65 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 :: 124.6 Ave N Shift Values>> N :: 121.6(4.72) G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 175.7 CA :: 46.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.94 HA2 :: 3.81 HA3 :: 3.81 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.1 Ave N Shift Values>> N :: 109.91(4.29) E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.09 K 0.09 Q 0.07 M 0.06 C Shift Assignments>> C :: 177.0 CA :: 58.9 CB :: 30.1 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 :: 9.42 HA :: 3.95 HB2 :: 1.92 HB3 :: 2.05 HG2 :: 2.24 HG3 :: 2.24 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 :: 121.0 Ave N Shift Values>> N :: 120.68(3.68) N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.2 D 0.16 C Shift Assignments>> C :: 175.9 CA :: 52.6 CB :: 38.1 CG :: 176.8 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 :: 8.64 HA :: 4.83 HB2 :: 2.96 HB3 :: 2.58 HD21 :: 7.66 HD22 :: 6.92 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.1 ND2 :: 113.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V86 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 :: 176.3 CA :: 63.3 CB :: 31.1 CG1 :: 21.3 CG2 :: 22.4 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 :: 7.40 HA :: 3.78 HB :: 1.92 HG1 :: 0.84 HG2 :: 0.62 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.9 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 0.98 T 0.01 HN Overlap>> F64 C Shift Assignments>> C :: 174.8 CA :: 58.0 CB :: 65.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.77 HA :: 4.28 HB2 :: 4.21 HB3 :: 3.99 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.5 Ave N Shift Values>> N :: 116.3(3.95) G88 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 :: 177.1 CA :: 47.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.93 HA2 :: 3.97 HA3 :: 3.71 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.9 Ave N Shift Values>> N :: 109.91(4.29) L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.4 R 0.05 A 0.03 G 0.02 C Shift Assignments>> C :: 179.3 CA :: 58.0 CB :: 42.1 CG :: 26.8 CD1 :: 24.3 CD2 :: 20.8 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 :: 8.33 HA :: 4.16 HB2 :: 1.59 HB3 :: 1.51 HG :: 1.57 HD1 :: 0.88 HD2 :: 0.85 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.0 Ave N Shift Values>> N :: 121.98(4.07) Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.36 E 0.19 C Shift Assignments>> C :: 179.6 CA :: 58.8 CB :: 28.5 CG :: 34.6 CD :: 179.3 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 :: 7.56 HA :: 3.88 HB2 :: 1.49 HB3 :: 2.07 HG2 :: 2.07 HG3 :: 2.31 HE21 :: 7.27 HE22 :: 6.73 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 :: 117.5 NE2 :: 110.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.12 G 0.04 C Shift Assignments>> C :: 178.3 CA :: 60.0 CB :: 30.0 CG :: 27.7 CD :: 42.8 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.79 HA :: 3.65 HB2 :: 1.67 HB3 :: 1.90 HG2 :: 1.35 HG3 :: 1.41 HD2 :: 3.25 HD3 :: 3.05 HE :: 7.23 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 :: 123.4 NE :: 114.7 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.02 HN Overlap>> A9 C Shift Assignments>> C :: 180.7 CA :: 55.0 CB :: 18.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.92 HA :: 4.11 HB :: 1.49 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 123.23(3.7) K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.02 HN Overlap>> R57 C Shift Assignments>> C :: 178.0 CA :: 58.7 CB :: 32.2 CG :: 24.8 CD :: 28.8 CE :: 41.5 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 :: 7.92 HA :: 4.11 HB2 :: 1.99 HB3 :: 1.74 HG2 :: 1.63 HG3 :: 1.51 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.95 HE3 :: 2.95 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.1 CA :: 67.4 CB :: 69.2 CG2 :: 19.6 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.79 HA :: 4.16 HB :: 4.17 HG2 :: 1.16 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 :: 115.0 Ave N Shift Values>> N :: 115.7(5.05) G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.24 P 0.03 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 176.1 CA :: 47.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.63 HA2 :: 4.03 HA3 :: 3.83 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.0 Ave N Shift Values>> N :: 109.91(4.29) T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.0 CA :: 65.3 CB :: 68.7 CG2 :: 22.0 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.63 HA :: 4.22 HB :: 4.29 HG2 :: 1.29 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 115.7(5.05) D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 C 0.16 D 0.14 L 0.11 K 0.06 N 0.04 I 0.03 C Shift Assignments>> C :: 177.4 CA :: 56.7 CB :: 40.2 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 :: 8.69 HA :: 4.39 HB2 :: 2.70 HB3 :: 3.14 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 :: 124.3 Ave N Shift Values>> N :: 120.73(4.2) K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.33 M 0.08 R 0.05 C Shift Assignments>> C :: 177.3 CA :: 59.3 CB :: 31.9 CG :: 23.5 CD :: 29.9 CE :: 40.8 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 :: 7.84 HA :: 3.47 HB2 :: 2.05 HB3 :: 1.97 HG2 :: 1.52 HG3 :: 1.52 HD2 :: 1.80 HD3 :: 1.80 HE2 :: 3.09 HE3 :: 2.97 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) T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.0 CA :: 66.3 CB :: 68.6 CG2 :: 21.7 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.51 HA :: 3.66 HB :: 4.16 HG2 :: 1.24 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.0 Ave N Shift Values>> N :: 115.7(5.05) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.4 R 0.03 C Shift Assignments>> C :: 179.0 CA :: 57.4 CB :: 41.2 CG :: 26.8 CD1 :: 23.0 CD2 :: 25.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.22 HA :: 3.94 HB2 :: 1.73 HB3 :: 1.22 HG :: 1.57 HD1 :: 0.71 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 :: 121.1 Ave N Shift Values>> N :: 121.98(4.07) V101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.6 CA :: 65.8 CB :: 31.1 CG1 :: 20.3 CG2 :: 21.4 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 :: 6.60 HA :: 2.81 HB :: 1.50 HG1 :: 0.24 HG2 :: -0.25(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 121.02(4.96) K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 K 0.03 G 0.02 R 0.01 C Shift Assignments>> C :: 176.2 CA :: 59.1 CB :: 32.1 CD :: 33.0 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 :: 7.82 HA :: 3.86 HB2 :: 1.96 HB3 :: 1.61 HD2 :: 1.76 HD3 :: 1.76 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 :: 119.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.19 K 0.07 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.7 CA :: 58.8 CB :: 29.3 CG :: 36.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.17 HA :: 3.89 HB2 :: 1.86 HB3 :: 2.06 HG2 :: 2.52 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 :: 117.2 Ave N Shift Values>> N :: 120.68(3.68) V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 174.9 CA :: 63.4 CB :: 32.8 CG1 :: 21.2 CG2 :: 20.5 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 :: 6.90 HA :: 3.60 HB :: 1.60 HG1 :: 0.62 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 :: 115.0 Ave N Shift Values>> N :: 121.02(4.96) V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.32 HN Overlap>> I25 C Shift Assignments>> C :: 173.4 CA :: 60.3 CB :: 29.3 CG1 :: 20.2 CG2 :: 23.1 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 :: 8.05 HA :: 2.69 HB :: 1.58 HG1 :: 0.32 HG2 :: 0.66 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 121.02(4.96) Q106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 Q 0.34 E 0.26 C Shift Assignments>> C :: 176.0 CA :: 57.3 CB :: 30.8 CG :: 34.1 CD :: 180.4 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 :: 6.12(S) HA :: 4.14 HB2 :: 1.70 HB3 :: 1.93 HG2 :: 2.04 HG3 :: 1.95 HE21 :: 7.35 HE22 :: 6.74 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.4 NE2 :: 112.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.38 C 0.15 C Shift Assignments>> C :: 172.8 CA :: 52.9 CB :: 40.0 CG :: 177.0 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.88 HA :: 4.70 HB2 :: 2.73 HB3 :: 2.56 HD21 :: 7.34 HD22 :: 6.86 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 :: 116.2 ND2 :: 112.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.18 C 0.18 D 0.17 N 0.1 L 0.08 I 0.03 K 0.01 E 0.01 C Shift Assignments>> C :: 173.8 CA :: 55.9 CB :: 39.5 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 :: 7.31 HA :: 4.88 HB2 :: 3.33 HB3 :: 3.14 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.3 Ave N Shift Values>> N :: 120.69(4.18) A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.35 C 0.04 L 0.02 V 0.01 HN Overlap>> A77 C Shift Assignments>> C :: 174.7 CA :: 54.1 CB :: 19.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.37 HA :: 4.43 HB :: 1.68 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 123.23(3.7) K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.25 K 0.24 HN Overlap>> S127 C Shift Assignments>> C :: 173.2 CA :: 55.3 CB :: 36.9 CG :: 25.3 CD :: 29.1 CE :: 41.8 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 :: 7.49 HA :: 4.49 HB2 :: 1.58 HB3 :: 1.37 HG2 :: 1.18 HG3 :: 0.83 HD2 :: 1.32 HD3 :: 1.48 HE2 :: 2.64 HE3 :: 2.83 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 :: 114.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 M 0.37 E 0.12 Q 0.04 K 0.01 C Shift Assignments>> C :: 174.6 CA :: 52.9 CB :: 32.3 CG :: 35.5 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 :: 8.24 HA :: 5.83(S) HB2 :: 2.01 HB3 :: 1.66 HG2 :: 2.15 HG3 :: 2.03 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.3 Ave N Shift Values>> N :: 120.68(3.68) F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.25 G 0.16 C 0.14 F 0.04 Y 0.03 D 0.03 K 0.02 C Shift Assignments>> C :: 175.8 CA :: 56.7 CB :: 44.1 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.88 HA :: 4.97 HB2 :: 3.20 HB3 :: 2.79 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 120.69(4.18) V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.2 CA :: 63.0 CB :: 32.1 CG1 :: 20.5 CG2 :: 20.5 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 :: 9.15 HA :: 4.97 HB :: 2.05 HG1 :: 0.95 HG2 :: 0.81 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 :: 127.3 Ave N Shift Values>> N :: 121.02(4.96) I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.3 G 0.11 HN Overlap>> W81 C Shift Assignments>> C :: 173.2 CA :: 61.0 CB :: 42.8 CG1 :: 27.8 CG2 :: 20.2 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 :: 9.27 HA :: 4.44 HB :: 1.71 HG2 :: 1.23 HG12 :: 1.57 HG13 :: 1.36 HD1 :: 0.85 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 :: 129.0 Ave N Shift Values>> N :: 121.6(4.72) S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 171.8 CA :: 57.3 CB :: 66.3 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.83 HA :: 3.62 HB2 :: 3.43 HB3 :: 3.64 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 116.3(3.95) D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.24 R 0.13 C 0.12 D 0.09 F 0.01 K 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 177.2 CA :: 52.3 CB :: 43.9 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 :: 7.36 HA :: 5.03 HB2 :: 2.79 HB3 :: 2.48 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 :: 123.2 Ave N Shift Values>> N :: 120.73(4.2) R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.37 K 0.2 G 0.03 C Shift Assignments>> C :: 179.1 CA :: 59.7 CB :: 30.3 CG :: 28.8 CD :: 42.7 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.48 HA :: 3.80 HB2 :: 1.71 HB3 :: 1.81 HG2 :: 1.24 HG3 :: 1.76 HD2 :: 2.89 HD3 :: 3.11 HE :: 7.05 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 :: 126.7 NE :: 115.1 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.14 M 0.01 C Shift Assignments>> C :: 179.3 CA :: 59.6 CB :: 31.5 CG :: 24.9 CD :: 28.7 CE :: 41.2 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.95 HA :: 4.05 HB2 :: 1.62 HB3 :: 1.75 HG2 :: 1.36 HG3 :: 1.36 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.93 HE3 :: 2.93 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 E 0.37 I 0.11 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 173.9 CA :: 56.8 CB :: 29.3 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 :: 7.60 HA :: 3.53 HB2 :: 2.13 HB3 :: 2.13 HG2 :: 1.50(S) HG3 :: 1.95 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 120.68(3.68) L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 C 0.26 G 0.21 R 0.15 A 0.05 C Shift Assignments>> C :: 177.4 CA :: 53.5 CB :: 43.7 CG :: 26.3 CD1 :: 23.3 CD2 :: 27.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.06 HA :: 4.32 HB2 :: 1.72 HB3 :: 1.50 HG :: 1.62 HD1 :: 0.86 HD2 :: 0.38 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 111.6 Ave N Shift Values>> N :: 121.98(4.07) E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.13 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.5 CA :: 58.2 CB :: 29.8 CG :: 36.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.84 HA :: 3.97 HB2 :: 2.26 HB3 :: 2.01 HG2 :: 2.57 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 :: 118.2 Ave N Shift Values>> N :: 120.68(3.68) E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.23 K 0.04 M 0.03 Q 0.02 HN Overlap>> T80 C Shift Assignments>> C :: 177.7 CA :: 60.5 CB :: 30.1 CG :: 36.1 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 :: 8.96 HA :: 3.48 HB2 :: 1.83 HB3 :: 1.83 HG2 :: 1.76 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 :: 126.2 Ave N Shift Values>> N :: 120.68(3.68) N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 N 0.32 D 0.11 E 0.01 HN Overlap>> G33 C Shift Assignments>> C :: 177.9 CA :: 56.3 CB :: 37.7 CG :: 176.5 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.71 HA :: 4.29 HB2 :: 2.95 HB3 :: 2.69 HD21 :: 7.78 HD22 :: 7.00 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.0 ND2 :: 114.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 Y 0.19 F 0.18 C 0.18 E 0.02 HN Overlap>> A132 C Shift Assignments>> C :: 177.5 CA :: 61.2 CB :: 38.6 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 :: 7.70 HA :: 4.22 HB2 :: 3.21 HB3 :: 3.21 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) I125 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 :: 178.4 CA :: 63.8 CB :: 35.7 CG1 :: 27.9 CG2 :: 17.0 CD1 :: 9.8 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.84 HA :: 3.11 HB :: 1.41 HG2 :: 0.01 HG12 :: 1.25 HG13 :: 0.88 HD1 :: 0.23 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 121.6(4.72) K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 K 0.05 M 0.01 R 0.01 C Shift Assignments>> C :: 179.1 CA :: 61.0 CB :: 32.2 CG :: 26.7 CD :: 30.1 CE :: 39.4 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 :: 8.28 HA :: 3.29 HB2 :: 1.66 HB3 :: 1.66 HG2 :: 1.36 HG3 :: 0.95 HD2 :: 1.62 HD3 :: 1.62 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 :: 117.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K110 C Shift Assignments>> C :: 177.1 CA :: 61.4 CB :: 62.9 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.54 HA :: 4.06 HB2 :: 3.92 HB3 :: 3.92 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.8 Ave N Shift Values>> N :: 116.3(3.95) E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.12 M 0.06 K 0.05 Q 0.02 HN Overlap>> L16 C Shift Assignments>> C :: 179.7 CA :: 58.7 CB :: 30.3 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 :: 7.63 HA :: 3.94 HB2 :: 2.07 HB3 :: 1.37 HG2 :: 1.89 HG3 :: 1.68 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) L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.34 R 0.06 C Shift Assignments>> C :: 178.4 CA :: 57.1 CB :: 41.7 CG :: 26.3 CD1 :: 26.4 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 :: 8.33 HA :: 3.94 HB2 :: 1.21 HB3 :: 1.79 HG :: 1.75 HD1 :: 0.44 HD2 :: 0.84 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 :: 119.6 Ave N Shift Values>> N :: 121.98(4.07) K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.13 M 0.03 C Shift Assignments>> C :: 177.8 CA :: 58.6 CB :: 32.5 CG :: 24.9 CD :: 29.4 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 :: 7.60 HA :: 3.99 HB2 :: 1.84 HB3 :: 1.84 HG2 :: 1.51 HG3 :: 1.38 HD2 :: 1.63 HD3 :: 1.63 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 :: 118.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 R 0.15 V 0.08 K 0.02 A 0.01 C Shift Assignments>> C :: 176.8 CA :: 57.3 CB :: 32.9 CG :: 22.6 CD :: 24.7 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 :: 7.36 HA :: 4.12 HB2 :: 1.86 HB3 :: 1.75 HG2 :: 1.63 HG3 :: 1.40 HD2 :: 1.36 HD3 :: 1.36 HE2 :: 2.94 HE3 :: 2.85 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 HN Overlap>> F124 C Shift Assignments>> C :: 177.9 CA :: 52.7 CB :: 19.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.71 HA :: 4.29 HB :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.1 Ave N Shift Values>> N :: 123.23(3.7) G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.6 CA :: 45.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.17 HA2 :: 3.97 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 :: 107.8 Ave N Shift Values>> N :: 109.91(4.29) G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.9 CA :: 45.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.20 HA2 :: 3.98 HA3 :: 3.98 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.9 Ave N Shift Values>> N :: 109.91(4.29) A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.4 CA :: 52.6 CB :: 19.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.24 HA :: 4.25 HB :: 1.29 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 123.23(3.7) N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.27 C 0.19 C Shift Assignments>> C :: 174.9 CA :: 53.1 CB :: 38.8 CG :: 177.0 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.35 HA :: 4.64 HB2 :: 2.66 HB3 :: 2.73 HD21 :: 7.55 HD22 :: 6.89 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.6 ND2 :: 113.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.21 I 0.14 E 0.04 D 0.02 L 0.02 N 0.01 C Shift Assignments>> C :: 175.4 CA :: 58.3 CB :: 38.8 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 :: 8.07 HA :: 4.47 HB2 :: 2.98 HB3 :: 2.90 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 :: 121.1 Ave N Shift Values>> N :: 120.79(4.69) D138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.1 N 0.09 F 0.08 Y 0.06 R 0.03 HN Overlap>> E142 C Shift Assignments>> C :: 175.8 CA :: 54.2 CB :: 41.2 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 :: 8.22 HA :: 4.51 HB2 :: 2.65 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 :: 122.6 Ave N Shift Values>> N :: 120.73(4.2) A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.27 C 0.02 C Shift Assignments>> C :: 178.2 CA :: 53.3 CB :: 19.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.15 HA :: 4.16 HB :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.6 Ave N Shift Values>> N :: 123.23(3.7) Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 C 0.39 E 0.2 C Shift Assignments>> C :: 176.8 CA :: 56.7 CB :: 29.0 CG :: 33.8 CD :: 180.3 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 :: 8.32 HA :: 4.25 HB2 :: 2.07 HB3 :: 2.02 HG2 :: 2.33 HG3 :: 2.33 HE21 :: 7.57 HE22 :: 6.79 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.5 NE2 :: 112.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T141 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 :: 175.0 CA :: 62.9 CB :: 69.5 CG2 :: 21.5 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.01 HA :: 4.18 HB :: 4.26 HG2 :: 1.15 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.6 Ave N Shift Values>> N :: 115.7(5.05) E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.11 M 0.07 Q 0.07 I 0.05 HN Overlap>> D138 C Shift Assignments>> C :: 176.8 CA :: 57.1 CB :: 29.9 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 :: 8.26 HA :: 4.20 HB2 :: 1.93 HB3 :: 2.02 HG2 :: 2.23 HG3 :: 2.23 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 120.68(3.68) L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 177.7 CA :: 55.8 CB :: 42.3 CG :: 26.8 CD1 :: 23.2 CD2 :: 24.6 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.04 HA :: 4.18 HB2 :: 1.58 HB3 :: 1.58 HG :: 1.58 HD1 :: 0.80 HD2 :: 0.85 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.0 Ave N Shift Values>> N :: 121.98(4.07) E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.09 M 0.09 Q 0.06 I 0.05 C Shift Assignments>> C :: 176.4 CA :: 56.9 CB :: 30.1 CG :: 36.1 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 :: 8.08 HA :: 4.10 HB2 :: 1.87 HB3 :: 1.87 HG2 :: 2.18 HG3 :: 2.10 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 :: 120.1 Ave N Shift Values>> N :: 120.68(3.68) H145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 140 #Clerical: 0 #Suspicious: 8 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 143 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 150 #Suspicious: 0 C Shift Results: #Consistent: 583 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 771 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 3 N Shift Results: #Consistent: 162 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: R18 HD2 = 2.37(S), Expected = 3.13, Std = 0.2300, ChiSquare = 9.5198e-04 I36 HG13 = -0.21(S), Expected = 1.24, Std = 0.4000, ChiSquare = 2.8896e-04 F48 HA = 2.36(M), Expected = 4.62, Std = 0.5800, ChiSquare = 9.7572e-05 F48 HB3 = 0.31(M), Expected = 2.97, Std = 0.3800, ChiSquare = 2.5596e-12 I49 HA = 2.27(S), Expected = 4.20, Std = 0.5600, ChiSquare = 5.6805e-04 C52 HB3 = -0.79(M), Expected = 2.98, Std = 0.4500, ChiSquare = 5.3936e-17 A60 CB = 25.0(S), Expected = 18.90, Std = 1.8500, ChiSquare = 9.7620e-04 V101 HG2 = -0.25(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.9598e-04 Q106 H = 6.12(S), Expected = 8.22, Std = 0.6200, ChiSquare = 7.0636e-04 E111 HA = 5.83(S), Expected = 4.26, Std = 0.4300, ChiSquare = 2.6106e-04 E119 HG2 = 1.50(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.1472e-04