M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.83 M 0.13 C 0.02 C Shift Assignments>> CA :: 51.5700 CB :: 19.31 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 175.500 CA :: 61.3700 CB :: 38.6100 CG1 :: 27.2200 CG2 :: 17.4200 CD1 :: 12.9800 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 :: 8.3400 HA :: 4.1500 HB :: 1.7900 HG2 :: 0.8100 HG12 :: 1.3900 HG13 :: 1.1200 HD1 :: 0.8400 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 :: 120.0000 Ave N Shift Values>> N :: 121.6(4.72) F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.23 C 0.19 D 0.09 I 0.06 L 0.06 N 0.04 E 0.02 K 0.01 C Shift Assignments>> CA :: 57.0800 CB :: 39.4100 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 :: 8.1500 HA :: 4.7100 HB2 :: 3.1800 HB3 :: 3.0400 HD1 :: 7.2500 HD2 :: 7.2500 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 :: 123.2800 Ave N Shift Values>> N :: 120.69(4.18) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.16 N 0.15 C 0.11 K 0.08 F 0.07 Y 0.06 R 0.01 C Shift Assignments>> CA :: 53.7000 CB :: 40.9000 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 :: 8.1500 HA :: 4.6400 HB2 :: 2.7200 HB3 :: 2.6800 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 :: 122.1100 Ave N Shift Values>> N :: 120.73(4.2) N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.17 D 0.16 Y 0.08 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 175.600 CA :: 53.2300 CB :: 38.5800 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 :: 8.3200 HA :: 4.7700 HB2 :: 3.0300 HB3 :: 2.8700 HD21 :: 6.8500 HD22 :: 7.5400 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.8500 ND2 :: 112.06 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> S98 C Shift Assignments>> C :: 175.000 CA :: 62.4000 CB :: 69.3900 CG2 :: 21.6400 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 :: 8.2400 HA :: 4.3700 HB :: 4.1400 HG2 :: 1.2400 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 :: 114.4000 Ave N Shift Values>> N :: 115.7(5.05) T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 62.0600 CB :: 69.4900 CG2 :: 21.6400 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 :: 8.0700 HA :: 4.4100 HB :: 4.2800 HG2 :: 1.2200 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 :: 116.2000 Ave N Shift Values>> N :: 115.7(5.05) S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.500 CA :: 58.2000 CB :: 63.5300 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.2300 HA :: 4.5100 HB2 :: 3.9200 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 :: 118.2600 Ave N Shift Values>> N :: 116.3(3.95) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 R 0.06 A 0.01 G 0.01 C Shift Assignments>> C :: 177.600 CA :: 55.4000 CB :: 42.0800 CG :: 27.0300 CD1 :: 25.0100 CD2 :: 23.4400 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 :: 8.2400 HA :: 4.4200 HB2 :: 1.6900 HG :: 1.6700 HD1 :: 0.9200 HD2 :: 0.8800 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.1700 Ave N Shift Values>> N :: 121.98(4.07) T18 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 :: 174.200 CA :: 61.8000 CB :: 69.4500 CG2 :: 21.6000 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 :: 7.9800 HA :: 4.3200 HB :: 4.3900 HG2 :: 1.2000 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.4100 Ave N Shift Values>> N :: 115.7(5.05) D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.16 N 0.14 C 0.11 K 0.08 F 0.08 Y 0.06 R 0.01 C Shift Assignments>> CA :: 53.8600 CB :: 40.8700 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 :: 8.1500 HA :: 4.6300 HB2 :: 2.7200 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 :: 122.6300 Ave N Shift Values>> N :: 120.73(4.2) K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.34 R 0.22 M 0.03 C Shift Assignments>> CA :: 56.2000 CB :: 32.4800 CG :: 24.7000 CD :: 28.8900 CE :: 42.1500 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 :: 8.1400 HA :: 4.2700 HB2 :: 1.8300 HB3 :: 1.7200 HG2 :: 1.4000 HD2 :: 1.6800 HD3 :: 1.6800 HE2 :: 3.0100 HE3 :: 3.0100 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 :: 121.8600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.14 R 0.12 C 0.11 W 0.09 E 0.08 L 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 174.100 CA :: 55.3700 CB :: 28.4100 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.4400 HA :: 4.6600 HB2 :: 3.2700 HB3 :: 3.3100 HD1 :: 7.3200 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.9600 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.25 R 0.06 G 0.02 A 0.02 C Shift Assignments>> C :: 176.400 CA :: 54.6700 CB :: 42.4100 CG :: 26.9400 CD1 :: 25.0000 CD2 :: 23.5600 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 :: 8.1300 HA :: 4.3700 HB2 :: 1.6400 HB3 :: 1.5500 HG :: 1.5500 HD1 :: 0.8700 HD2 :: 0.9100 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 :: 123.0300 Ave N Shift Values>> N :: 121.98(4.07) D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.12 C 0.11 F 0.05 Y 0.04 K 0.04 C Shift Assignments>> CA :: 52.3500 CB :: 40.7200 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 :: 8.2900 HA :: 4.9200 HB2 :: 2.8100 HB3 :: 2.6600 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 :: 122.9100 Ave N Shift Values>> N :: 120.73(4.2) P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 63.5900 CB :: 31.9500 CG :: 27.2900 CD :: 50.7600 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 :: 4.4500 HB2 :: 2.3200 HB3 :: 1.9600 HG2 :: 2.0500 HD2 :: 3.8300 HD3 :: 3.8700 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) I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 HN Overlap>> L96 C Shift Assignments>> C :: 176.900 CA :: 61.8100 CB :: 37.7400 CG1 :: 27.6700 CG2 :: 17.6700 CD1 :: 12.7800 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 :: 8.0400 HA :: 4.0600 HB :: 2.0000 HG2 :: 0.8800 HG12 :: 1.5300 HG13 :: 1.2700 HD1 :: 0.9200 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 :: 120.0800 Ave N Shift Values>> N :: 121.6(4.72) R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.12 G 0.07 C Shift Assignments>> C :: 176.700 CA :: 56.5300 CB :: 30.4500 CG :: 27.4600 CD :: 43.3400 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 :: 8.1100 HA :: 4.2900 HB2 :: 1.8600 HG2 :: 1.6900 HG3 :: 1.6100 HD2 :: 3.2300 HD3 :: 3.2300 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 :: 123.6800 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.11 K 0.08 Q 0.06 I 0.04 HN Overlap>> K34 C Shift Assignments>> CA :: 56.8100 CB :: 30.3300 CG :: 36.0300 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 :: 8.2500 HA :: 4.2800 HB2 :: 2.0600 HG2 :: 2.3100 HG3 :: 2.3200 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 :: 121.0900 Ave N Shift Values>> N :: 120.68(3.68) N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.18 D 0.13 Y 0.08 F 0.06 E 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 176.300 CA :: 53.1600 CB :: 38.2400 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 :: 8.4200 HA :: 4.7700 HB2 :: 3.0500 HB3 :: 2.8700 HD21 :: 6.9300 HD22 :: 7.6800 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.1000 ND2 :: 112.08 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.46 A 0.01 C Shift Assignments>> C :: 178.100 CA :: 56.7500 CB :: 41.3900 CG :: 24.9500 CD1 :: 23.2300 CD2 :: 24.9500 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 :: 8.3400 HA :: 4.2600 HB2 :: 1.6400 HB3 :: 1.7900 HD1 :: 0.6900 HD2 :: 0.5900 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 :: 123.3700 Ave N Shift Values>> N :: 121.98(4.07) G30 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 :: 173.500 CA :: 46.2000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4000 HA2 :: 4.3300 HA3 :: 4.2300 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.7100 Ave N Shift Values>> N :: 109.91(4.29) K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.33 R 0.11 V 0.07 M 0.03 Q 0.02 P 0.01 C Shift Assignments>> C :: 177.700 CA :: 59.5600 CB :: 32.4600 CG :: 24.9800 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 :: 7.5100 HA :: 4.0100 HB2 :: 2.0200 HG2 :: 1.8100 HG3 :: 1.57 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 :: 120.6300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 C 0.14 W 0.13 R 0.09 K 0.08 E 0.08 Q 0.06 H 0.06 P 0.03 V 0.01 L 0.01 HN Overlap>> Q65 C Shift Assignments>> C :: 177.300 CA :: 60.2900 CB :: 28.3700 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.7800 HA :: 4.2500 HB2 :: 3.4000 HD1 :: 8.0100 HE1 :: 8.7700 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 :: 117.4900 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) W33 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.62 C 0.37 HN Overlap>> L97 C Shift Assignments>> CA :: 65.8200(M) CB :: 29.2100 CD1 :: 126.3500 CZ2 :: 112.6900 CZ3 :: 120.5700 CH2 :: 123.0600 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.7500 HA :: 4.5700 HB2 :: 3.3200 HB3 :: 3.00 HD1 :: 6.2700 HE1 :: 10.9000 HE3 :: 7.0400 HZ2 :: 6.7800 HZ3 :: 6.7500 HH2 :: 7.5100 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.0900 NE1 :: 131.3000 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.28 R 0.15 V 0.07 P 0.05 M 0.02 Q 0.01 HN Overlap>> E27 S104 C Shift Assignments>> C :: 177.900 CA :: 60.1200 CB :: 32.0600 CG :: 25.2500 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 :: 8.1600 HA :: 3.2700 HB2 :: 1.8800 HG2 :: 1.4900 HG3 :: 1.3000 HE2 :: 3.2500 HE3 :: 3.2500 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 :: 121.0900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.18 N 0.15 E 0.12 F 0.12 D 0.06 I 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 177.400 CA :: 55.6300 CB :: 37.7800 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 :: 8.0800 HA :: 4.3200 HB2 :: 2.8600 HB3 :: 2.6700 HD21 :: 6.8800 HD22 :: 7.6100 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.6900 ND2 :: 112.057 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.28 C 0.11 R 0.04 W 0.02 K 0.02 V 0.01 C Shift Assignments>> C :: 175.900 CA :: 61.9700 CB :: 26.1700 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.0200 HA :: 3.8500 HB2 :: 2.6700 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 :: 122.1100 Ave N Shift Values>> N :: 119.95(4.79) A37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.75 A 0.2 I 0.02 C 0.01 C Shift Assignments>> C :: 180.100 CA :: 54.4000 CB :: 15.7100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.5100 HA :: 3.4400 HB :: 0.2100(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.0900 Ave N Shift Values>> N :: 123.23(3.7) R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.33 K 0.15 L 0.05 G 0.03 C Shift Assignments>> C :: 181.000 CA :: 58.7200 CB :: 29.0800 CG :: 27.0700 CD :: 42.8400 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 :: 8.1000 HA :: 4.3800 HB2 :: 1.8800 HB3 :: 1.8300 HG2 :: 1.7500 HG3 :: 1.8200 HD2 :: 3.3000 HD3 :: 3.1100 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.0300 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.48 M 0.02 C Shift Assignments>> C :: 178.300 CA :: 59.0100 CB :: 31.4600 CG :: 25.3100 CD :: 29.0500 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 :: 7.6200 HA :: 4.0300 HB2 :: 1.9900 HG2 :: 1.6700 HG3 :: 1.6100 HD2 :: 1.4600 HD3 :: 1.4600 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 :: 122.1100 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.27 A 0.08 R 0.03 G 0.01 HN Overlap>> D51 C Shift Assignments>> C :: 176.400 CA :: 55.0100 CB :: 42.0700 CG :: 25.8300 CD1 :: 25.8300 CD2 :: 22.3800 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 :: 7.5300 HA :: 4.2200 HB2 :: 1.9700 HB3 :: 1.5900 HG :: 1.8900 HD1 :: 0.7500 HD2 :: 0.8300 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 :: 118.0000 Ave N Shift Values>> N :: 121.98(4.07) G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.700 CA :: 44.7800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.6700 HA2 :: 4.1500 HA3 :: 3.6000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.4900 Ave N Shift Values>> N :: 109.91(4.29) F42 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 0.11 D 0.04 E 0.03 L 0.03 N 0.01 HN Overlap>> V63 C Shift Assignments>> C :: 176.500 CA :: 57.9400 CB :: 39.0100 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 :: 7.9200 HA :: 4.7100 HB2 :: 2.8800 HB3 :: 2.4400 HD1 :: 7.2400 HD2 :: 7.2400 HE1 :: 7.1900 HE2 :: 7.1900 HZ :: 6.8900 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 :: 120.0800 Ave N Shift Values>> N :: 120.69(4.18) T43 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 :: 175.400 CA :: 59.8900 CB :: 70.6700 CG2 :: 21.9300 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 :: 8.6500 HA :: 4.4600 HB :: 4.7600 HG2 :: 1.2900 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 :: 112.9200 Ave N Shift Values>> N :: 115.7(5.05) Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.22 R 0.11 E 0.06 M 0.02 I 0.02 P 0.01 HN Overlap>> Y54 C Shift Assignments>> C :: 177.600 CA :: 58.9600 CB :: 28.0100 CG :: 33.3900 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 :: 9.0100 HA :: 3.8700 HB2 :: 2.2600 HB3 :: 2.1100 HG2 :: 2.4600 HG3 :: 2.3100 HE21 :: 7.56 HE22 :: 6.28 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.3400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.700 CA :: 61.1800 CB :: 62.3800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4100 HA :: 4.3300 HB2 :: 3.9500 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.7200 Ave N Shift Values>> N :: 116.3(3.95) Q46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.6100 HA :: 4.2300 HB2 :: 2.6900 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.8600 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> CA :: 65.7900 CB :: 38.1000 CG2 :: 16.7300 CD1 :: 13.5000 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 :: 8.1500 HA :: 3.3100 HB :: 1.8100 HG2 :: 0.3200 HG12 :: 1.6000 HG13 :: 1.8000 HD1 :: 0.4500 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.4400 Ave N Shift Values>> N :: 121.6(4.72) D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.26 Y 0.25 C 0.18 I 0.08 D 0.07 L 0.07 K 0.03 N 0.01 E 0.01 C Shift Assignments>> CA :: 57.6600 CB :: 39.8500 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>> HA :: 4.6600 HB2 :: 2.7300 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.26 K 0.14 Q 0.12 I 0.1 M 0.03 R 0.01 C Shift Assignments>> CA :: 59.5800 CB :: 29.3500 CG :: 35.0900 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 :: 8.1700 HA :: 4.0500 HB2 :: 2.4300 HB3 :: 2.2400 HG2 :: 2.5400 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.9600 Ave N Shift Values>> N :: 120.68(3.68) I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> L67 C Shift Assignments>> C :: 177.100 CA :: 65.6800 CB :: 37.0400 CG2 :: 17.0000 CD1 :: 12.9900 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 :: 8.1100 HA :: 3.5200 HB :: 1.9000 HG2 :: 0.4700 HG12 :: 0.7700 HG13 :: 0.7700 HD1 :: 0.5000 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 :: 120.8300 Ave N Shift Values>> N :: 121.6(4.72) D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 K 0.17 L 0.14 C 0.13 F 0.13 Y 0.09 D 0.02 I 0.02 G 0.01 HN Overlap>> L40 C Shift Assignments>> C :: 178.300 CA :: 58.4200 CB :: 42.5700 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 :: 7.4500 HA :: 4.2500 HB2 :: 2.8500 HB3 :: 2.6800 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.0000 Ave N Shift Values>> N :: 120.73(4.2) H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 C 0.12 Q 0.11 K 0.11 L 0.09 W 0.09 I 0.09 H 0.08 E 0.07 C Shift Assignments>> C :: 177.500 CA :: 58.1000 CB :: 27.4400 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.5300 HA :: 4.5100 HB2 :: 3.5300 HD2 :: 7.4400 HE1 :: 8.6300 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 :: 116.7100 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.25 Y 0.14 M 0.07 F 0.07 N 0.06 K 0.03 I 0.03 D 0.01 C Shift Assignments>> C :: 177.400 CA :: 56.2300 CB :: 36.7500 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 :: 8.7200 HA :: 4.5100 HB2 :: 3.6000 HB3 :: 3.2000 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 :: 123.1400 Ave N Shift Values>> N :: 120.73(4.2) Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 Y 0.18 HN Overlap>> Q44 C Shift Assignments>> C :: 180.200 CA :: 58.2700 CB :: 37.5400 CD1 :: 129.5400 CD2 :: 129.5400 CE1 :: 117.5700 CE2 :: 117.5700 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 :: 8.9300 HA :: 3.9000 HB2 :: 3.7500 HB3 :: 2.6000 HD1 :: 6.1900 HD2 :: 6.1900 HE1 :: 6.0500 HE2 :: 6.0500 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 :: 121.3400 Ave N Shift Values>> N :: 120.79(4.69) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.14 K 0.12 Q 0.07 M 0.01 C Shift Assignments>> C :: 179.500 CA :: 58.8200 CB :: 28.9600 CG :: 35.8400 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 :: 8.1200 HA :: 4.3500 HB2 :: 2.3900 HB3 :: 2.2400 HG2 :: 2.5100 HG3 :: 2.37 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.5300 Ave N Shift Values>> N :: 120.68(3.68) R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 G 0.1 K 0.1 L 0.01 C Shift Assignments>> C :: 177.900 CA :: 58.8600 CB :: 30.0400 CG :: 26.0900 CD :: 43.5900 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 :: 8.7600 HA :: 4.0800 HB2 :: 2.2100 HB3 :: 1.9400 HG2 :: 1.65 HG3 :: 1.89 HD2 :: 3.40 HD3 :: 3.19 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 :: 123.5000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.21 C 0.12 L 0.12 F 0.08 Y 0.08 K 0.04 C Shift Assignments>> C :: 176.200 CA :: 53.7700 CB :: 40.2800 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 :: 7.7100 HA :: 4.9800 HB2 :: 3.1300 HB3 :: 2.8000 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 :: 115.9400 Ave N Shift Values>> N :: 120.73(4.2) G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> CA :: 46.7100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.8800 HA2 :: 4.2200 HA3 :: 3.9800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.7600 Ave N Shift Values>> N :: 109.91(4.29) L59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.52 C 0.43 G 0.02 C Shift Assignments>> C :: 178.400 CA :: 58.1800 CB :: 42.1700 CG :: 26.56 CD1 :: 22.65 CD2 :: 22.77 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 :: 7.9300 HA :: 3.7000 HB2 :: 0.7900 HG :: 0.8700 HD1 :: -0.14(S) HD2 :: -0.17(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.6400 Ave N Shift Values>> N :: 121.98(4.07) K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.2 C 0.19 W 0.12 K 0.08 R 0.08 E 0.06 M 0.06 P 0.04 H 0.04 I 0.04 Q 0.02 C Shift Assignments>> C :: 178.500 CA :: 60.2200 CB :: 32.0900 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 :: 7.7600 HA :: 3.6300 HB2 :: 1.9000 HB3 :: 1.54 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.9300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.2 Q 0.2 E 0.19 I 0.05 R 0.03 M 0.01 HN Overlap>> L88 C Shift Assignments>> C :: 178.00 CA :: 58.5300 CB :: 28.47 CG :: 34.67 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 :: 7.7300 HA :: 4.2000 HB2 :: 2.0800 HB3 :: 1.9700 HG2 :: 2.4900 HG3 :: 2.3400 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.8000 Ave N Shift Values>> N :: 120.68(3.68) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.36 R 0.21 G 0.01 C Shift Assignments>> C :: 180.000 CA :: 59.4700 CB :: 32.4100 CG :: 25.7400 CE :: 42.1300 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 :: 8.3900 HA :: 4.0300 HB2 :: 1.8900 HB3 :: 1.6500 HG2 :: 1.44 HE2 :: 3.0300 HE3 :: 3.0300 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 :: 120.3100 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> F42 C Shift Assignments>> CA :: 66.7500 CB :: 31.2600 CG1 :: 23.1000 CG2 :: 23.10 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 :: 7.9100 HA :: 3.5100 HB :: 1.9800 HG1 :: 0.9700 HG2 :: 0.7800 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 :: 120.0600 Ave N Shift Values>> N :: 121.02(4.96) Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.35 C Shift Assignments>> C :: 177.0000 CA :: 60.7700 CB :: 38.4900 CD1 :: 133.0200 CD2 :: 133.0200 CE1 :: 118.7 CE2 :: 118.7 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.2700 HA :: 4.0500 HB2 :: 3.3400 HB3 :: 2.9800 HD1 :: 7.1000 HD2 :: 7.1000 HE1 :: 6.8500 HE2 :: 6.8500 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 :: 120.8300 Ave N Shift Values>> N :: 120.79(4.69) Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.22 E 0.09 R 0.08 I 0.03 M 0.01 HN Overlap>> H32 C Shift Assignments>> CA :: 58.7300 CB :: 27.7800 CG :: 33.8800 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 :: 8.8400 HA :: 3.8500 HB2 :: 2.6700 HB3 :: 2.5300 HG2 :: 2.6700 HG3 :: 2.5300 HE21 :: 7.7500 HE22 :: 7.7500 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 :: 117.4900 NE2 :: 111.8600 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.35 I 0.1 V 0.04 C Shift Assignments>> CA :: 59.3200 CB :: 32.4000 CE :: 16.9900 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.8300 HA :: 4.0600 HB2 :: 2.2600 HG2 :: 2.4100 HG3 :: 2.7300 HE :: 1.92 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.8300 Ave N Shift Values>> N :: 120.1(3.88) L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.41 K 0.06 G 0.01 HN Overlap>> I50 C Shift Assignments>> C :: 178.300 CA :: 57.9800 CB :: 41.8300 CD1 :: 23.1100 CD2 :: 25.3600 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 :: 8.1200 HA :: 4.0200 HB2 :: 1.7900 HB3 :: 1.3500 HG :: 1.6300 HD1 :: 0.4100 HD2 :: 0.6100 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.8300 Ave N Shift Values>> N :: 121.98(4.07) Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.18 Q 0.17 E 0.16 I 0.08 R 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 177.6000 CA :: 60.1500 CB :: 28.8900 CG :: 34.3400 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 :: 8.5600 HA :: 3.6600 HB2 :: 1.9500 HB3 :: 1.8000 HG2 :: 2.1200 HG3 :: 1.8600 HE21 :: 6.60 HE22 :: 5.95 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 :: 118.5100 NE2 :: 108.9300 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.35 R 0.24 G 0.01 C Shift Assignments>> C :: 178.900 CA :: 59.4400 CB :: 32.1500 CG :: 25.7200 CE :: 42.2100 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 :: 8.1800 HA :: 3.9500 HB2 :: 1.9300 HG2 :: 1.4900 HE2 :: 3.0000 HE3 :: 3.0000 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 :: 117.7400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 C 0.34 C Shift Assignments>> C :: 177.5000 CA :: 62.5700 CB :: 28.8300 CD1 :: 126.8900 CZ2 :: 113.3400 CH2 :: 123.200 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 :: 7.9400 HA :: 4.0700 HB2 :: 3.5800 HB3 :: 3.2500 HD1 :: 7.2700 HE1 :: 11.2300 HE3 :: 7.5200 HZ2 :: 7.2800 HZ3 :: 6.8800 HH2 :: 7.0600 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.8600 NE1 :: 131.7500 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.1000 CA :: 66.2700 CB :: 31.4700 CG1 :: 22.5100 CG2 :: 23.3100 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 :: 8.7800 HA :: 3.2400 HB :: 2.3500 HG1 :: 0.9900 HG2 :: 1.4300 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 :: 119.2200 Ave N Shift Values>> N :: 121.02(4.96) M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.34 Q 0.12 K 0.08 E 0.03 R 0.01 C Shift Assignments>> C :: 178.700 CA :: 57.7000 CB :: 31.6900 CG :: 32.36 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 :: 8.2000 HA :: 4.1200 HB2 :: 2.0800 HG2 :: 2.7700 HG3 :: 2.6500 HE :: 2.0900 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 :: 115.9400 Ave N Shift Values>> N :: 120.1(3.88) R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.07 C Shift Assignments>> C :: 178.5000 CA :: 58.4300 CB :: 30.2600 CG :: 27.1900 CD :: 43.4700 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 :: 7.7700 HA :: 4.1000 HB2 :: 1.8600 HB3 :: 1.6900 HG2 :: 1.4900 HD2 :: 3.1900 HD3 :: 3.1900 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.5400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 Q 0.26 K 0.24 E 0.09 R 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 179.1000 CA :: 56.7900 CB :: 28.0100 CG :: 33.88 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 :: 8.3400 HA :: 3.8800 HB2 :: 1.4500 HB3 :: 0.9300(S) HG2 :: 1.54(S) HG3 :: 1.33(S) 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 :: 118.5100 Ave N Shift Values>> N :: 120.68(3.68) G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.1000 CA :: 45.5200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3900 HA2 :: 3.8400 HA3 :: 3.660 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.8900 Ave N Shift Values>> N :: 109.91(4.29) I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 176.7000 CA :: 62.1500 CB :: 38.0600 CG1 :: 27.7100 CG2 :: 17.6100 CD1 :: 13.4300 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 :: 6.91 HA :: 4.0900 HB :: 1.9400 HG2 :: 0.94 HG12 :: 1.5400 HG13 :: 1.3000 HD1 :: 0.9100 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 :: 117.23 Ave N Shift Values>> N :: 121.6(4.72) K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.2 M 0.02 C Shift Assignments>> C :: 176.7000 CA :: 56.4100 CB :: 32.8000 CG :: 25.2000 CD :: 29.1700 CE :: 42.1000 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 :: 7.5400 HA :: 4.2900 HB2 :: 1.9800 HB3 :: 1.8400 HG2 :: 1.4100 HD2 :: 1.4100 HD3 :: 1.4100 HE2 :: 2.9400 HE3 :: 2.9400 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 :: 118.6100 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.5000 CA :: 45.3100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.5800 HA2 :: 4.1000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.1200 Ave N Shift Values>> N :: 109.91(4.29) A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 179.3000 CA :: 54.0400 CB :: 18.8100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.5400 HA :: 4.2300 HB :: 1.5800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.9400 Ave N Shift Values>> N :: 123.23(3.7) T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.49 V 0.39 I 0.09 C 0.01 C Shift Assignments>> C :: 175.9000 CB :: 67.5600 CG2 :: 23.7300 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 :: 8.5600 HA :: 3.9600 HB :: 4.2000 HG2 :: 1.2500 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 :: 119.0900 Ave N Shift Values>> N :: 115.7(5.05) V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 177.9000 CA :: 65.9800 CB :: 30.5900 CG1 :: 24.4000 CG2 :: 24.0200 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 :: 8.7300 HA :: 3.8100 HB :: 1.8800 HG1 :: 0.96 HG2 :: 1.1100 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 :: 120.5700 Ave N Shift Values>> N :: 121.02(4.96) G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.27 P 0.11 A 0.06 N 0.02 L 0.02 C Shift Assignments>> C :: 176.100 CA :: 47.8400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.1300 HA2 :: 3.8700 HA3 :: 3.66 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.3200 Ave N Shift Values>> N :: 109.91(4.29) K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.32 R 0.18 V 0.04 M 0.03 Q 0.02 P 0.01 C Shift Assignments>> C :: 179.4000 CA :: 59.1100 CB :: 31.8800 CG :: 25.2100 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 :: 7.8600 HA :: 4.1900 HB2 :: 2.1400 HB3 :: 2.0100 HG2 :: 1.4900 HG3 :: 1.4900 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 :: 123.5400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.27 K 0.09 A 0.01 I 0.01 C Shift Assignments>> C :: 177.4000 CA :: 57.8300 CB :: 41.1600 CD1 :: 22.2000 CD2 :: 26.3200 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 :: 7.8800 HA :: 4.4200 HB2 :: 2.4200 HB3 :: 1.5200 HD1 :: 1.0300 HD2 :: 1.1000 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 :: 122.5900 Ave N Shift Values>> N :: 121.98(4.07) A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.3 I 0.05 C 0.02 HN Overlap>> R93 C Shift Assignments>> C :: 180.3000 CA :: 55.2900 CB :: 17.6100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.6200 HA :: 3.9700 HB :: 1.5900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.3400 Ave N Shift Values>> N :: 123.23(3.7) Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.24 E 0.1 R 0.07 M 0.03 I 0.01 C Shift Assignments>> C :: 177.2000 CA :: 57.7900 CB :: 28.5000 CG :: 33.7700 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 :: 7.6300 HA :: 4.2300 HB2 :: 2.2800 HG2 :: 2.62 HG3 :: 2.52 HE21 :: 7.4000 HE22 :: 6.800 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 :: 116.2000 NE2 :: 111.5500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 L 0.01 C Shift Assignments>> C :: 179.0000 CA :: 52.4400 CB :: 19.5100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9400 HA :: 4.5900 HB :: 1.7200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.4200 Ave N Shift Values>> N :: 123.23(3.7) L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.34 K 0.15 R 0.01 HN Overlap>> E61 C Shift Assignments>> C :: 179.2000 CA :: 58.4500 CB :: 41.8200 CD1 :: 25.6500 CD2 :: 24.8000 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 :: 7.6800 HA :: 4.1100 HB2 :: 1.9800 HB3 :: 1.6400 HD1 :: 0.9800 HD2 :: 0.9500 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 :: 119.8400 Ave N Shift Values>> N :: 121.98(4.07) H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 Q 0.13 L 0.13 K 0.12 C 0.11 H 0.09 W 0.08 E 0.06 I 0.04 M 0.01 C Shift Assignments>> C :: 175.0000 CA :: 56.7700 CB :: 27.5500 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.3600 HA :: 4.7400 HB2 :: 3.4200 HB3 :: 3.4200 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 :: 113.3700 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 C 0.24 K 0.18 E 0.15 M 0.14 R 0.01 C Shift Assignments>> C :: 175.4000 CA :: 55.7000 CB :: 30.0700 CG :: 34.1900 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 :: 8.1100 HA :: 4.4700 HB2 :: 2.1600 HB3 :: 2.3300 HG2 :: 2.2900 HG3 :: 2.1300 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 :: 117.4900 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.13 K 0.13 Q 0.12 C 0.12 H 0.11 R 0.1 I 0.06 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 174.0000 CA :: 58.1000 CB :: 29.1500 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.6900 HA :: 4.9200 HB2 :: 3.3300 HB3 :: 3.0000 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 :: 117.5000 Ave N Shift Values>> N :: 119.95(4.79) S92 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>> CA :: 57.1200 CB :: 65.3100 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.4100 HA :: 4.6800 HB2 :: 4.3700 HB3 :: 4.05 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 :: 121.3400 Ave N Shift Values>> N :: 116.3(3.95) R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 G 0.12 K 0.06 I 0.03 HN Overlap>> A85 C Shift Assignments>> C :: 178.1000 CA :: 59.9200 CB :: 30.2100 CD :: 43.5600 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 :: 8.5600 HA :: 3.6500 HB2 :: 1.6400 HB3 :: 1.3500 HG2 :: 1.0000 HG3 :: 0.8300 HD2 :: 2.7800 HD3 :: 2.7800 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 :: 121.3400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.13 C Shift Assignments>> C :: 177.0000 CA :: 64.1600 CB :: 37.1200 CG1 :: 29.9000 CG2 :: 17.200 CD1 :: 13.1000 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 :: 7.9700 HA :: 3.7000 HB :: 1.8000 HG2 :: 0.7600 HG12 :: 1.5000 HG13 :: 1.2100 HD1 :: 0.8000 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 :: 117.7400 Ave N Shift Values>> N :: 121.6(4.72) D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 C 0.15 K 0.14 L 0.1 D 0.07 I 0.05 R 0.02 C Shift Assignments>> CA :: 57.8900 CB :: 40.8400 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 :: 7.8000 HA :: 4.4200 HB2 :: 3.2100 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.0900 Ave N Shift Values>> N :: 120.73(4.2) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.17 L 0.14 Y 0.13 C 0.13 D 0.07 R 0.07 I 0.03 HN Overlap>> I25 C Shift Assignments>> CA :: 57.4900 CB :: 41.4800 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 :: 8.0600 HA :: 4.2600 HB2 :: 2.0400 HB3 :: 1.6800 HD1 :: 0.9100 HD2 :: 0.9100 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.0600 Ave N Shift Values>> N :: 121.98(4.07) L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.18 Y 0.17 C 0.14 L 0.1 I 0.06 R 0.05 D 0.04 HN Overlap>> W33 C Shift Assignments>> C :: 179.1000 CA :: 58.4000 CB :: 41.2500 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 :: 8.7700 HA :: 3.8000 HB2 :: 1.1000 HB3 :: 1.9000 HD1 :: 0.7700 HD2 :: 0.7700 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 :: 121.0900 Ave N Shift Values>> N :: 121.98(4.07) S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.2 V 0.19 P 0.07 C 0.05 F 0.05 Y 0.04 S 0.04 W 0.03 E 0.01 R 0.01 HN Overlap>> T14 C Shift Assignments>> C :: 176.1000 CB :: 61.6400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3300 HA :: 4.0300 HB2 :: 4.3300 HB3 :: 4.1500 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 :: 114.4000 Ave N Shift Values>> N :: 116.3(3.95) S99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.15 T 0.12 V 0.11 F 0.09 C 0.08 S 0.08 Y 0.08 W 0.06 E 0.03 R 0.03 K 0.02 H 0.02 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 175.4000 CA :: 60.4500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.3100 HA :: 3.2600 HB2 :: 2.4500(S) 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 :: 121.0900 Ave N Shift Values>> N :: 116.3(3.95) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.33 K 0.08 A 0.03 G 0.03 C Shift Assignments>> C :: 176.9000 CA :: 56.2700 CB :: 42.5400 CD1 :: 26.4500 CD2 :: 22.3600 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 :: 7.4200 HA :: 3.9200 HB2 :: 1.9100 HB3 :: 1.3000 HD1 :: 0.7700 HD2 :: 0.4100 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 :: 119.3400 Ave N Shift Values>> N :: 121.98(4.07) I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> C :: 173.6000 CA :: 59.8600 CB :: 36.8900 CG1 :: 26.7000 CG2 :: 18.7600 CD1 :: 14.0300 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 :: 6.9600 HA :: 4.1900 HB :: 2.1500 HG2 :: 0.7700 HG12 :: 1.3800 HG13 :: 1.2200 HD1 :: 0.8300 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 :: 108.7400 Ave N Shift Values>> N :: 121.6(4.72) Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 173.2000 CA :: 59.1600 CB :: 39.2100 CD1 :: 133.4700 CD2 :: 133.4700 CE1 :: 117.6800 CE2 :: 117.6800 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 :: 6.6300 HA :: 4.1300 HB2 :: 3.1200 HB3 :: 3.0100 HD1 :: 7.2400 HD2 :: 7.2400 HE1 :: 6.6500 HE2 :: 6.6500 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 :: 120.0600 Ave N Shift Values>> N :: 120.79(4.69) V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.45 C Shift Assignments>> CA :: 60.4200 CB :: 34.5700 CG1 :: 20.85000 CG2 :: 20.85000 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 :: 6.5400 HA :: 4.0700 HB :: 1.6900 HG1 :: 0.7700 HG2 :: 0.7700 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 :: 124.9400 Ave N Shift Values>> N :: 121.02(4.96) S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K34 C Shift Assignments>> C :: 174.9000 CA :: 57.9600 CB :: 64.1400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.0800 HA :: 4.1800 HB2 :: 3.9800 HB3 :: 3.9000 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 :: 121.0900 Ave N Shift Values>> N :: 116.3(3.95) Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.24 C 0.24 E 0.1 M 0.07 R 0.05 C Shift Assignments>> CA :: 55.6800 CB :: 29.2900 CG :: 33.6900 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 :: 8.4500 HA :: 4.3000 HB2 :: 2.0800 HB3 :: 1.9300 HG2 :: 2.3200 HG3 :: 2.3200 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.6300 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.16 D 0.16 Y 0.07 F 0.06 L 0.02 E 0.01 HN Overlap>> H107 C Shift Assignments>> CA :: 52.9900 CB :: 38.5500 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 :: 8.2600 HA :: 4.6300 HB2 :: 2.7600 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.2900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.15 C 0.12 W 0.1 R 0.1 E 0.09 L 0.05 M 0.03 I 0.01 HN Overlap>> N106 C Shift Assignments>> CA :: 55.0400 CB :: 28.8000 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.3500 HA :: 4.6400 HB2 :: 3.2200 HB3 :: 3.0500 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 :: 119.2900 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 112 #Suspicious: 0 C Shift Results: #Consistent: 373 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 529 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: W33 CA = 65.8200(M), Expected = 57.71, Std = 2.6500, ChiSquare = 2.2106e-03 A37 HB = 0.2100(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.8687e-06 L59 HD1 = -0.14(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5067e-04 L59 HD2 = -0.17(S), Expected = 0.76, Std = 0.2800, ChiSquare = 8.9558e-04 E74 HB3 = 0.9300(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.3924e-06 E74 HG2 = 1.54(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.4573e-04 E74 HG3 = 1.33(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.0613e-06 S99 HB2 = 2.4500(S), Expected = 3.88, Std = 0.2900, ChiSquare = 8.1795e-07