Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.12 Y 0.07 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 175.1000 CA :: 53.0000 CB :: 38.2200 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6500 HA :: 4.7700 HB2 :: 2.8200 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.9600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.9500 CA :: 62.4000 CB :: 32.5100 CG1 :: 21.0100 CG2 :: 20.3400 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1900 HA :: 4.1000 HB :: 2.0900 HG11 :: 0.9200 HG12 :: 0.9200 HG13 :: 0.9200 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.9300 Ave N Shift Values>> N :: 121.14(4.54) 1.M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.22 R 0.14 H 0.14 Q 0.13 E 0.06 V 0.01 C Shift Assignments>> CA :: 55.3300 CB :: 32.5100 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.3900 HA :: 4.4500 HB2 :: 2.0500 HG2 :: 2.6000 HE1 :: 0.9170 HE2 :: 0.9170 HE3 :: 0.9170 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.6200 Ave N Shift Values>> N :: 120.09(3.57) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 A 0.04 R 0.03 G 0.02 C Shift Assignments>> CA :: 55.0800 CB :: 42.3400 CG :: 26.6900 CD1 :: 24.7700 CD2 :: 23.1800 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4800 HA :: 4.3400 HB2 :: 1.6300 HG :: 1.4700 HD11 :: 0.8300 HD12 :: 0.8300 HD13 :: 0.8300 HD21 :: 0.7900 HD22 :: 0.7900 HD23 :: 0.7900 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.1300 Ave N Shift Values>> N :: 121.86(3.9) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.18 Y 0.08 F 0.08 L 0.04 M 0.01 C Shift Assignments>> C :: 174.9100 CA :: 53.1900 CB :: 38.6800 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4100 HA :: 4.6800 HB2 :: 2.8100 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.3300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.3900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.3700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.2500 CB :: 63.6500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5900 HA :: 4.4600 HB2 :: 3.9600 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.5100 Ave N Shift Values>> N :: 116.28(3.52) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.4000 CA :: 45.5000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5870 HA2 :: 3.9750 HA3 :: 4.1100 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8900 Ave N Shift Values>> N :: 109.67(3.87) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.5300 CB :: 63.8500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1700 HA :: 4.4900 HB2 :: 3.9600 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6700 Ave N Shift Values>> N :: 116.28(3.52) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 Y 0.13 M 0.11 I 0.09 K 0.07 F 0.07 Q 0.04 V 0.03 HN Overlap>> 2.A48 2.A48 C Shift Assignments>> C :: 176.1000 CA :: 58.3550 CG :: 35.9600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.8170 HA :: 3.7290 HB2 :: 1.8400 HG2 :: 2.3200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.8700 Ave N Shift Values>> N :: 120.67(3.48) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 59.3500 CB :: 40.8190 CD1 :: 134.0080 CE1 :: 117.7890 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.0500 HA :: 4.5200 HB2 :: 2.8370 HD1 :: 6.7400 HE1 :: 6.6400 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 128.0700 Ave N Shift Values>> N :: 120.52(4.2) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 L 0.39 K 0.01 C Shift Assignments>> C :: 172.5100 CA :: 50.6200 CB :: 22.6000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5760 HA :: 4.4890 HB1 :: 1.0850 HB2 :: 1.0850 HB3 :: 1.0850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.1500 Ave N Shift Values>> N :: 123.23(3.54) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 Y 0.32 F 0.23 C Shift Assignments>> C :: 175.2900 CA :: 55.9600 CD1 :: 132.6270 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.7240 HA :: 5.4260 HD1 :: 6.9170 HE1 :: 6.4930 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.3100 Ave N Shift Values>> N :: 120.52(4.2) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.8800 CA :: 60.1300 CB :: 36.4200 CG1 :: 21.1000 CG2 :: 19.9600 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.4610 HA :: 5.4500 HB :: 2.0610 HG11 :: 1.0400 HG12 :: 1.0400 HG13 :: 1.0400 HG21 :: 0.8750 HG22 :: 0.8750 HG23 :: 0.8750 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.7900 Ave N Shift Values>> N :: 121.14(4.54) 1.S18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.7800 CA :: 56.4000 CB :: 65.1900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.0500 HA :: 5.8330(S) HB2 :: 3.6400 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.4300 Ave N Shift Values>> N :: 116.28(3.52) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.E46 2.E46 C Shift Assignments>> CA :: 61.0000 CB :: 35.1000 CG1 :: 21.6800 CG2 :: 20.6000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.2850 HA :: 4.8190 HB :: 1.7980 HG11 :: 0.8900 HG12 :: 0.8900 HG13 :: 0.8900 HG21 :: 0.7760 HG22 :: 0.7760 HG23 :: 0.7760 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2400 Ave N Shift Values>> N :: 121.14(4.54) 1.D20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.84 L 0.13 C Shift Assignments>> CA :: 53.8440 CB :: 46.0050 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.9340 HA :: 5.6980(S) HB2 :: 2.4450 HB3 :: 2.5420 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.1700 Ave N Shift Values>> N :: 120.65(3.86) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 M 0.12 I 0.04 A 0.03 HN Overlap>> 2.S55 2.T140 2.S55 2.T140 C Shift Assignments>> C :: 174.5900 CA :: 58.6900 CB :: 35.1200 CG2 :: 20.8280 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0630 HA :: 4.8130 HB :: 1.9510 HG21 :: 0.8400 HG22 :: 0.8400 HG23 :: 0.8400 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.2270 Ave N Shift Values>> N :: 121.14(4.54) 1.N22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.24 F 0.09 Y 0.09 L 0.07 C Shift Assignments>> C :: 182.8300(A) CA :: 53.5700 CB :: 39.1500 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 10.1020 HA :: 4.9000 HB2 :: 2.8400 HD21 :: 6.9140 HD22 :: 7.6270 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.9800 ND2 :: 112.8230 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.P1 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.95 G 0.04 C Shift Assignments>> CA :: 63.4000 CB :: 29.1650 CD :: 49.1620 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 1.2630(A) HB2 :: 1.7710 HG2 :: 1.1070 HG3 :: 0.9550 HD2 :: 2.4380(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (HA > HB2 : 1.0000) 2.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.S17 2.S17 C Shift Assignments>> CA :: 57.5370 CB :: 64.8420 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1830 HA :: 5.4190 HB2 :: 3.5320 HB3 :: 3.6580 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.0570 Ave N Shift Values>> N :: 116.28(3.52) 2.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 HN Overlap>> 2.Y60 2.D138 2.Y60 2.D138 C Shift Assignments>> C :: 173.4600 CA :: 59.6680 CB :: 35.9600 CG1 :: 20.1100 CG2 :: 21.6800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6240 HA :: 4.7970 HB :: 1.6530 HG11 :: 0.6270 HG12 :: 0.6270 HG13 :: 0.6270 HG21 :: 0.4590 HG22 :: 0.4590 HG23 :: 0.4590 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.7400 Ave N Shift Values>> N :: 121.14(4.54) 2.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 E 0.09 Q 0.09 C Shift Assignments>> C :: 174.5500 CA :: 54.6400 CB :: 34.5300 CG :: 34.6480 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.8360 HA :: 5.1400 HB2 :: 1.7500 HG2 :: 1.9750 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.5000 Ave N Shift Values>> N :: 120.67(3.48) 2.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 Y 0.4 C Shift Assignments>> CA :: 55.9300 CB :: 41.4600 CD1 :: 132.9590 CE1 :: 130.7130 CZ :: 128.6740 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 10.0000 HA :: 5.4020 HB2 :: 2.9800 HD1 :: 7.2180 HE1 :: 7.0140 HZ :: 6.9140 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.5200 Ave N Shift Values>> N :: 120.45(4.18) 2.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.0000 CA :: 62.6200 CB :: 69.2970 CG2 :: 21.4350 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.2450 HA :: 5.0900 HB :: 4.1430 HG21 :: 1.1930 HG22 :: 1.1930 HG23 :: 1.1930 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.4000 Ave N Shift Values>> N :: 115.42(4.75) 2.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.08 G 0.01 C Shift Assignments>> C :: 173.7700 CA :: 58.0300 CB :: 41.5100 CG1 :: 26.8800 CG2 :: 17.5470 CD1 :: 15.4010 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.8600 HA :: 5.7500 HB :: 1.8900 HG12 :: 1.7800 HG21 :: 0.6900 HG22 :: 0.6900 HG23 :: 0.6900 HD11 :: 0.8070 HD12 :: 0.8070 HD13 :: 0.8070 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.1800 Ave N Shift Values>> N :: 121.46(4.28) 2.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.22 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> C :: 177.4600 CA :: 51.0900 CB :: 39.4300 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.7100 HA :: 5.1860 HB2 :: 2.8000 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.4000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.4800 CB :: 62.1400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7720 HA :: 3.4600 HB2 :: 3.8400 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.4700 Ave N Shift Values>> N :: 116.28(3.52) 2.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 C Shift Assignments>> C :: 175.2600 CA :: 54.9500 CB :: 31.2500 CG :: 24.9300 CD :: 29.1100 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.2240 HA :: 4.1600 HB2 :: 1.9600 HG2 :: 1.4100 HD2 :: 1.7400 HE2 :: 2.9400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.7200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 172.8300 CA :: 55.2700 CB :: 26.0700 CD2 :: 120.6920 CE1 :: 138.2640 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.3800 HA :: 4.1100 HB2 :: 3.2300 HD2 :: 7.2260 HE1 :: 7.5420 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 111.7700 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.09 HN Overlap>> 2.Y53 2.Y53 C Shift Assignments>> C :: 176.8200 CA :: 53.5700 CB :: 33.2700 CG :: 25.1000 CD :: 28.7800 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7820 HA :: 4.8000 HB2 :: 1.6500 HG2 :: 1.4100 HD2 :: 1.6800 HE2 :: 2.9200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.6600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.4400 CB :: 31.8000 CG1 :: 22.0530 CG2 :: 22.2970 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.7370 HA :: 3.7780 HB :: 2.3700 HG11 :: 0.8190 HG12 :: 0.8190 HG13 :: 0.8190 HG21 :: 0.5880 HG22 :: 0.5880 HG23 :: 0.5880 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.3700 Ave N Shift Values>> N :: 121.14(4.54) 2.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.8400 CA :: 62.6500 CB :: 39.8400 CG1 :: 26.9400 CG2 :: 18.0900 CD1 :: 14.2500 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.3430 HA :: 4.3900 HB :: 1.7540 HG12 :: 1.5200 HG21 :: 0.9890 HG22 :: 0.9890 HG23 :: 0.9890 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.6700 Ave N Shift Values>> N :: 121.46(4.28) 2.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.5500 CA :: 61.4200 CB :: 36.3800 CG1 :: 21.1300 CG2 :: 21.1000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.5400 HA :: 4.4500 HB :: 2.0900 HG11 :: 1.0360 HG12 :: 1.0360 HG13 :: 1.0360 HG21 :: 0.9900 HG22 :: 0.9900 HG23 :: 0.9900 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.9200 Ave N Shift Values>> N :: 121.14(4.54) 2.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.7200 CA :: 61.1200 CB :: 70.1500 CG2 :: 23.3280 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1700 HA :: 5.1180 HB :: 3.8930 HG21 :: 0.9550 HG22 :: 0.9550 HG23 :: 0.9550 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.5900 Ave N Shift Values>> N :: 115.42(4.75) 2.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.S2 2.S2 C Shift Assignments>> CA :: 56.5800 CB :: 65.0200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1700 HA :: 4.7300 HB2 :: 3.5370 HB3 :: 3.6360 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.0500 Ave N Shift Values>> N :: 116.28(3.52) 2.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.06 C Shift Assignments>> CA :: 50.7400 CB :: 18.6000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7640 HA :: 4.3520 HB1 :: 1.3000 HB2 :: 1.3000 HB3 :: 1.3000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.5000 Ave N Shift Values>> N :: 123.23(3.54) 2.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 180.1900 CA :: 62.1900 CB :: 36.6300 CG1 :: 27.6100 CG2 :: 17.1180 CD1 :: 11.4500 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.2230 HA :: 3.7270 HB :: 1.6320 HG12 :: 1.1110 HG21 :: 0.6870 HG22 :: 0.6870 HG23 :: 0.6870 HD11 :: 0.5290 HD12 :: 0.5290 HD13 :: 0.5290 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.4000 Ave N Shift Values>> N :: 121.46(4.28) 2.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.34 L 0.1 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.3400 CA :: 50.2400 CB :: 40.4900 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.5040 HA :: 4.9340 HB2 :: 3.3030 HB3 :: 3.0010 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.4700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.36 R 0.12 E 0.05 M 0.03 I 0.02 C Shift Assignments>> C :: 178.6400 CA :: 58.8800 CB :: 28.4400 CG :: 33.4700 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.6500 HA :: 4.0800 HB2 :: 2.1600 HG2 :: 2.4600 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.9900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 D 0.18 L 0.13 N 0.06 I 0.04 K 0.02 C Shift Assignments>> C :: 177.8400 CA :: 56.5500 CB :: 39.9700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4400 HA :: 4.4600 HB2 :: 2.4700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.1600 Ave N Shift Values>> N :: 120.65(3.86) 2.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.11 L 0.05 V 0.01 C Shift Assignments>> CA :: 54.0700 CB :: 20.0800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6640 HA :: 3.9310 HB1 :: 1.5360 HB2 :: 1.5360 HB3 :: 1.5360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6600 Ave N Shift Values>> N :: 123.23(3.54) 2.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.3600 CB :: 60.9400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9250 HA :: 4.0000 HB2 :: 4.1400 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.0800 Ave N Shift Values>> N :: 116.28(3.52) 2.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 K 0.21 Q 0.17 I 0.13 M 0.01 R 0.01 C Shift Assignments>> C :: 178.1800 CA :: 58.5600 CB :: 28.9500 CG :: 35.5500 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.6670 HA :: 4.1960 HB2 :: 2.2100 HG2 :: 2.4090 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.0600 Ave N Shift Values>> N :: 120.67(3.48) 2.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.7000 CA :: 65.1900 CB :: 31.6700 CG1 :: 22.4090 CG2 :: 22.6130 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.1550 HA :: 3.5600 HB :: 2.1550 HG11 :: 0.9220 HG12 :: 0.9220 HG13 :: 0.9220 HG21 :: 0.8800 HG22 :: 0.8800 HG23 :: 0.8800 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.7300 Ave N Shift Values>> N :: 121.14(4.54) 2.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 K 0.26 R 0.02 C Shift Assignments>> C :: 177.8300 CA :: 55.9900 CB :: 41.8400 CG :: 26.7800 CD1 :: 24.8600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7340 HA :: 4.0400 HB2 :: 1.7800 HG :: 1.5580 HD11 :: 0.9000 HD12 :: 0.9000 HD13 :: 0.9000 HD21 :: 0.7300 HD22 :: 0.7300 HD23 :: 0.7300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.1500 Ave N Shift Values>> N :: 121.86(3.9) 2.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.19 F 0.18 K 0.17 Y 0.14 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 176.3900 CA :: 56.3000 CB :: 41.1600 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.2960 HA :: 4.3300 HB2 :: 2.7890 HB3 :: 2.6840 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.0800 Ave N Shift Values>> N :: 120.65(3.86) 2.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.7400 CA :: 45.5000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6000 HA2 :: 4.2120 HA3 :: 3.7100 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8600 Ave N Shift Values>> N :: 109.67(3.87) 2.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 R 0.41 G 0.08 HN Overlap>> 2.E143 2.E143 C Shift Assignments>> C :: 176.6000 CA :: 53.8200 CB :: 42.7600 CG :: 27.0340 CD1 :: 27.3020 CD2 :: 26.7210 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8230 HA :: 4.5640 HB2 :: 1.9160 HG :: 1.7100 HD11 :: 0.9290 HD12 :: 0.9290 HD13 :: 0.9290 HD21 :: 0.8770 HD22 :: 0.8770 HD23 :: 0.8770 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.8700 Ave N Shift Values>> N :: 121.86(3.9) 2.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 Q 0.28 K 0.26 R 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 175.2400 CA :: 55.1100 CB :: 28.4400 CG :: 35.4600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6680 HA :: 4.5620 HB2 :: 2.0400 HG2 :: 2.2000 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.7500 Ave N Shift Values>> N :: 120.67(3.48) 2.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 G 0.34 L 0.27 C Shift Assignments>> C :: 175.2400 CA :: 55.0610 CB :: 43.9350 CG :: 27.0200 CD1 :: 27.1130 CD2 :: 27.3430 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2070 HA :: 4.2700 HB2 :: 1.5330 HG :: 1.4320 HD11 :: 1.0350 HD12 :: 1.0350 HD13 :: 1.0350 HD21 :: 0.7780 HD22 :: 0.7780 HD23 :: 0.7780 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.2500 Ave N Shift Values>> N :: 121.86(3.9) 2.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.18 C Shift Assignments>> C :: 177.5800 CA :: 59.1300 CB :: 32.0100 CG :: 25.3600 CD :: 28.7800 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8670 HA :: 3.6900 HB2 :: 1.8090 HG2 :: 1.4350 HD2 :: 1.7300 HE2 :: 3.0400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.5600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 E 0.37 K 0.06 Q 0.03 R 0.01 C Shift Assignments>> C :: 175.4600 CA :: 58.9400 CB :: 27.4700 CG :: 36.5500 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.1960 HA :: 3.6850 HB2 :: 2.3100 HG2 :: 2.4600 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.3700 Ave N Shift Values>> N :: 120.67(3.48) 2.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 HN Overlap>> 2.I93 2.I93 C Shift Assignments>> C :: 176.6900 CA :: 54.7000 CB :: 32.6000 CG :: 25.4300 CD :: 29.1100 CE :: 41.8100 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8430 HA :: 4.4700 HB2 :: 2.0700 HG2 :: 1.6000 HD2 :: 1.8000 HE2 :: 3.1000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.5100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.26 K 0.15 I 0.12 L 0.08 D 0.03 R 0.01 C Shift Assignments>> C :: 174.8500 CA :: 59.1900 CB :: 41.1200 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5000 HA :: 4.5800 HB2 :: 2.8280 HB3 :: 2.9150 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.5000 Ave N Shift Values>> N :: 120.65(3.86) 2.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 A 0.02 V 0.01 C Shift Assignments>> CA :: 58.1600 CB :: 41.4800 CG :: 26.6900 CD1 :: 22.3210 CD2 :: 22.1000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.5560 HA :: 3.5900 HB2 :: 1.7230 HG :: 1.2600 HD11 :: 0.5870 HD12 :: 0.5870 HD13 :: 0.5870 HD21 :: 0.3980 HD22 :: 0.3980 HD23 :: 0.3980 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.8300 Ave N Shift Values>> N :: 121.86(3.9) 2.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 G 0.01 C Shift Assignments>> C :: 177.1600 CA :: 61.0100 CB :: 31.6200 CG :: 24.9400 CD :: 28.8600 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4000 HA :: 3.5900 HB2 :: 1.9300 HG2 :: 1.3320 HD2 :: 1.6900 HE2 :: 2.9900 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.5100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.2300 CB :: 62.5900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3130 HA :: 4.1600 HB2 :: 3.9400 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.8600 Ave N Shift Values>> N :: 116.28(3.52) 2.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.32 I 0.01 L 0.01 C Shift Assignments>> C :: 178.2800 CA :: 54.7900 CB :: 19.1300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5170 HA :: 3.9810 HB1 :: 1.0500 HB2 :: 1.0500 HB3 :: 1.0500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4600 Ave N Shift Values>> N :: 123.23(3.54) 2.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.15 G 0.02 C Shift Assignments>> C :: 178.0600 CA :: 58.5300 CB :: 42.0900 CG :: 26.6900 CD1 :: 26.0670 CD2 :: 26.1060 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3530 HA :: 3.8500 HB2 :: 1.6300 HG :: 1.5320 HD11 :: 0.7490 HD12 :: 0.7490 HD13 :: 0.7490 HD21 :: 0.8280 HD22 :: 0.8280 HD23 :: 0.8280 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.6200 Ave N Shift Values>> N :: 121.86(3.9) 2.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.6000 CA :: 67.0800 CB :: 31.6600 CG1 :: 24.0200 CG2 :: 20.8500 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.4640 HA :: 3.4100 HB :: 2.1200 HG11 :: 1.1100 HG12 :: 1.1100 HG13 :: 1.1100 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.0800 Ave N Shift Values>> N :: 121.14(4.54) 2.M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 M 0.01 C Shift Assignments>> C :: 180.0300 CA :: 59.4700 CB :: 28.6100 CG :: 35.3800 CE :: 17.1000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.2430 HA :: 4.1060 HB2 :: 2.1900 HG2 :: 2.4600 HE1 :: 2.0960 HE2 :: 2.0960 HE3 :: 2.0960 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.1900 Ave N Shift Values>> N :: 120.09(3.57) 2.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.1600 CA :: 66.5700 CB :: 31.6800 CG1 :: 24.6100 CG2 :: 20.5100 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3100 HA :: 3.6160 HB :: 2.2410 HG11 :: 1.1800 HG12 :: 1.1800 HG13 :: 1.1800 HG21 :: 0.8420 HG22 :: 0.8420 HG23 :: 0.8420 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.8500 Ave N Shift Values>> N :: 121.14(4.54) 2.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 A 0.01 C Shift Assignments>> C :: 179.1600 CA :: 57.5900 CB :: 41.2320 CG :: 27.1050 CD1 :: 22.7000 CD2 :: 25.9640 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3320 HA :: 4.0780 HB2 :: 1.8610 HG :: 1.2800 HD11 :: 0.6900 HD12 :: 0.6900 HD13 :: 0.6900 HD21 :: 0.9760 HD22 :: 0.9760 HD23 :: 0.9760 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5300 Ave N Shift Values>> N :: 121.86(3.9) 2.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.33 K 0.12 Q 0.06 M 0.01 HN Overlap>> 1.V19 1.V19 C Shift Assignments>> C :: 180.2200 CA :: 59.8200 CB :: 29.0000 CG :: 36.0500 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.2100 HA :: 4.1300 HB2 :: 2.1700 HG2 :: 2.4500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.1700 Ave N Shift Values>> N :: 120.67(3.48) 2.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 C Shift Assignments>> C :: 179.4700 CA :: 58.0600 CB :: 31.6200 CG :: 24.5200 CD :: 28.9500 CE :: 41.8100 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8860 HA :: 4.3700 HB2 :: 2.1500 HG2 :: 1.2000 HD2 :: 1.6900 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.8800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 A 0.14 I 0.05 HN Overlap>> 1.E13 1.E13 C Shift Assignments>> C :: 179.4100 CA :: 55.6860 CB :: 16.5000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8630 HA :: 4.1570 HB1 :: 1.5310 HB2 :: 1.5310 HB3 :: 1.5310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8500 Ave N Shift Values>> N :: 123.23(3.54) 2.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 K 0.22 Q 0.17 I 0.16 R 0.01 M 0.01 HN Overlap>> 2.I54 2.I54 C Shift Assignments>> C :: 180.6900 CA :: 58.9100 CB :: 28.6900 CG :: 35.4600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6200 HA :: 4.0700 HB2 :: 2.1100 HG2 :: 2.4240 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.8400 Ave N Shift Values>> N :: 120.67(3.48) 2.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.T107 2.T107 C Shift Assignments>> C :: 175.2200 CA :: 61.5800 CB :: 62.8400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3060 HA :: 4.3100 HB2 :: 4.1300 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.0200 Ave N Shift Values>> N :: 116.28(3.52) 2.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.19 A 0.04 G 0.01 C Shift Assignments>> C :: 176.8000 CA :: 54.7000 CB :: 42.2300 CG :: 26.6900 CD1 :: 27.1050 CD2 :: 23.3500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.5490 HA :: 4.3780 HB2 :: 1.6270 HG :: 1.8030 HD11 :: 0.9830 HD12 :: 0.9830 HD13 :: 0.9830 HD21 :: 0.8600 HD22 :: 0.8600 HD23 :: 0.8600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.4400 Ave N Shift Values>> N :: 121.86(3.9) 2.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 175.6900 CA :: 45.4000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6020 HA2 :: 3.8120 HA3 :: 4.1200 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.6400 Ave N Shift Values>> N :: 109.67(3.87) 2.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 2.K12 2.K12 C Shift Assignments>> C :: 174.6900 CA :: 59.3120 CB :: 38.9000 CD1 :: 131.8300 CE1 :: 118.6300 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.7500 HA :: 4.5900 HB2 :: 3.1960 HD1 :: 7.2130 HE1 :: 6.8120 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.6300 Ave N Shift Values>> N :: 120.52(4.2) 2.I54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 I 0.13 A 0.11 HN Overlap>> 2.E49 2.E49 C Shift Assignments>> CA :: 59.2100 CB :: 37.5130 CG1 :: 33.8100(S) CG2 :: 18.6580 CD1 :: 13.2010 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5120 HA :: 4.2650 HB :: 1.7440 HG12 :: 1.3230 HG21 :: 0.8030 HG22 :: 0.8030 HG23 :: 0.8030 HD11 :: 0.8060 HD12 :: 0.8060 HD13 :: 0.8060 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.8200 Ave N Shift Values>> N :: 121.46(4.28) 2.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V21 1.V21 C Shift Assignments>> C :: 179.6600 CA :: 57.7200 CB :: 65.1100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1330 HA :: 4.7790 HB2 :: 3.8810 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.2200 Ave N Shift Values>> N :: 116.28(3.52) 2.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.28 K 0.16 R 0.07 F 0.07 N 0.05 Y 0.04 C Shift Assignments>> C :: 175.8200 CA :: 54.0700 CB :: 41.9500 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4950 HA :: 4.8300 HB2 :: 2.8900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.0900 Ave N Shift Values>> N :: 120.65(3.86) 2.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.22 Y 0.2 L 0.17 N 0.08 K 0.03 I 0.02 C Shift Assignments>> C :: 175.9500 CA :: 56.0100 CB :: 40.2500 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6610 HA :: 4.3500 HB2 :: 2.6420 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.6300 Ave N Shift Values>> N :: 120.65(3.86) 2.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.39 C Shift Assignments>> C :: 174.7400 CA :: 55.2700 CB :: 32.4710 CG :: 25.1100 CD :: 26.8600 CE :: 41.5600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.3600 HA :: 4.5280 HB2 :: 2.0900 HG2 :: 1.6000 HD2 :: 1.8000 HE2 :: 2.9300 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.9200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.29 K 0.09 R 0.09 N 0.08 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 173.0600 CA :: 52.3400 CB :: 42.2900 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6400 HA :: 5.1400 HB2 :: 2.3100 HD21 :: 6.8110 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.8400 ND2 :: 119.1550 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 2.V3 2.V3 C Shift Assignments>> C :: 176.0300 CA :: 58.5000 CB :: 40.0700 CD1 :: 133.2060 CE1 :: 117.7200 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.6950 HA :: 5.1400 HB2 :: 2.6960 HD1 :: 6.9950 HE1 :: 6.6980 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.8000 Ave N Shift Values>> N :: 120.52(4.2) 2.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.T105 2.T105 C Shift Assignments>> C :: 173.7200 CA :: 61.1900 CB :: 35.0500 CG1 :: 20.8500 CG2 :: 21.5200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6900 HA :: 4.6820 HB :: 1.7900 HG11 :: 0.8900 HG12 :: 0.8900 HG13 :: 0.8900 HG21 :: 0.8000 HG22 :: 0.8000 HG23 :: 0.8000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.5500 Ave N Shift Values>> N :: 121.14(4.54) 2.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 52.8800 CB :: 45.6200 CG :: 26.7900 CD1 :: 27.2590 CD2 :: 26.9010 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6400 HA :: 5.2940 HB2 :: 1.9430 HG :: 1.1680 HD11 :: 0.7470 HD12 :: 0.7470 HD13 :: 0.7470 HD21 :: 0.7710 HD22 :: 0.7710 HD23 :: 0.7710 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.4600 Ave N Shift Values>> N :: 121.86(3.9) 2.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.4000 CA :: 60.1300 CB :: 32.8100 CG1 :: 21.1000 CG2 :: 22.0200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.5620 HA :: 5.4400 HB :: 2.3280 HG11 :: 0.9500 HG12 :: 0.9500 HG13 :: 0.9500 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 132.1900 Ave N Shift Values>> N :: 121.14(4.54) 2.S64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.4200 CB :: 65.2200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8900 HA :: 5.8280(S) HB2 :: 3.4540 HB3 :: 3.5930 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.2700 Ave N Shift Values>> N :: 116.28(3.52) 2.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.16 C Shift Assignments>> C :: 173.0600 CA :: 53.6000 CB :: 37.3000 CG :: 30.8700 CE :: 18.2520 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.4900 HA :: 5.8900 HB2 :: 1.9060 HG2 :: 2.3910 HE1 :: 1.9010 HE2 :: 1.9010 HE3 :: 1.9010 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.4200 Ave N Shift Values>> N :: 120.09(3.57) 2.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 A 0.29 K 0.06 C Shift Assignments>> CA :: 51.0600 CB :: 23.1900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7650 HA :: 4.9320 HB1 :: 1.2500 HB2 :: 1.2500 HB3 :: 1.2500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.8200 Ave N Shift Values>> N :: 123.23(3.54) 2.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.06 R 0.02 G 0.01 C Shift Assignments>> CA :: 54.9200 CB :: 42.1400 CG :: 26.6900 CD1 :: 24.8230 CD2 :: 22.9290 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7930 HA :: 4.3300 HB2 :: 1.5770 HB3 :: 1.6400 HG :: 0.9500 HD11 :: 0.7390 HD12 :: 0.7390 HD13 :: 0.7390 HD21 :: 0.5220 HD22 :: 0.5220 HD23 :: 0.5220 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5100 Ave N Shift Values>> N :: 121.86(3.9) 2.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 M 0.1 E 0.07 Y 0.04 F 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 175.3200 CA :: 51.9400 CB :: 36.5400 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4060 HA :: 4.9600 HB2 :: 3.0300 HD21 :: 7.8890 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.0900 ND2 :: 117.7450 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.21 F 0.19 Y 0.15 K 0.14 N 0.04 I 0.01 R 0.01 C Shift Assignments>> CA :: 56.1800 CB :: 40.9700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.2730 HA :: 4.3100 HB2 :: 2.5830 HB3 :: 2.7200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.4600 Ave N Shift Values>> N :: 120.65(3.86) 2.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 C Shift Assignments>> C :: 176.2500 CA :: 57.3100 CB :: 33.0400 CG :: 24.8600 CD :: 28.9500 CE :: 41.8100 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.2140 HA :: 4.0910 HB2 :: 1.7500 HG2 :: 1.4200 HD2 :: 1.6700 HE2 :: 2.9790 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.1800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.17 F 0.04 Y 0.04 L 0.04 C Shift Assignments>> CA :: 51.9700 CB :: 38.8370 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.8820 HA :: 4.8410 HB2 :: 3.3810 HD21 :: 7.3370 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.0200 ND2 :: 115.6320 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 C Shift Assignments>> CA :: 59.0700 CB :: 32.0500 CG :: 25.1800 CD :: 28.9400 CE :: 41.8100 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.0890 HA :: 3.9600 HB2 :: 1.9400 HG2 :: 1.5600 HD2 :: 1.7410 HE2 :: 3.1000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.5900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.23 C Shift Assignments>> CA :: 58.1900 CB :: 32.3000 CG :: 25.6900 CD :: 28.9500 CE :: 41.8900 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5240 HA :: 4.3700 HB2 :: 2.1400 HG2 :: 1.7100 HD2 :: 1.8000 HE2 :: 3.1000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.0500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.5500 CA :: 62.6860 CB :: 69.8310 CG2 :: 22.2110 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1400 HA :: 4.1100 HB :: 4.3040 HG21 :: 1.0670 HG22 :: 1.0670 HG23 :: 1.0670 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.3500 Ave N Shift Values>> N :: 115.42(4.75) 2.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.14 K 0.08 C Shift Assignments>> C :: 176.4400 CA :: 57.9000 CB :: 30.6600 CG :: 27.4400 CD :: 43.5600 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.3480 HA :: 4.1300 HB2 :: 2.0000 HG2 :: 1.7400 HD2 :: 3.2700 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.0500 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.14 N 0.07 F 0.06 R 0.05 Y 0.04 C Shift Assignments>> C :: 175.2600 CA :: 53.6600 CB :: 41.8400 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.8730 HA :: 4.6990 HB2 :: 2.6270 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.3500 Ave N Shift Values>> N :: 120.65(3.86) 2.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.2 C Shift Assignments>> C :: 176.4500 CA :: 56.6500 CB :: 31.8700 CG :: 25.1800 CD :: 29.0300 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.9180 HA :: 4.0800 HB2 :: 1.8100 HG2 :: 1.4700 HD2 :: 1.6800 HE2 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.0500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.19 K 0.04 HN Overlap>> 2.I93 2.I93 C Shift Assignments>> C :: 177.9600 CA :: 60.2900 CB :: 30.4200 CG :: 27.2800 CD :: 43.4800 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9270 HA :: 3.7000 HB2 :: 1.9300 HG2 :: 1.8100 HD2 :: 3.2700 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.6200 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 E 0.27 K 0.03 C Shift Assignments>> C :: 178.8900 CA :: 60.2600 CB :: 28.2500 CG :: 36.9600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7600 HA :: 3.9300 HB2 :: 2.0500 HG2 :: 2.4400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.9900 Ave N Shift Values>> N :: 120.67(3.48) 2.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.36 K 0.12 Q 0.06 C Shift Assignments>> C :: 179.4300 CA :: 59.5100 CB :: 28.5300 CG :: 36.1300 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1250 HA :: 4.1500 HB2 :: 2.1600 HG2 :: 2.4600 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.0200 Ave N Shift Values>> N :: 120.67(3.48) 2.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.17 Y 0.14 F 0.13 I 0.08 E 0.07 K 0.06 R 0.06 V 0.05 T 0.05 H 0.05 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 180.7500 CA :: 59.2600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0630 HA :: 4.1500 HB2 :: 2.2700 HG2 :: 2.1600 HE2 :: 2.7700 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.7600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.7300 CA :: 64.5600 CB :: 37.1300 CG1 :: 29.5300 CG2 :: 17.2500 CD1 :: 12.2400 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4500 HA :: 3.7000 HB :: 2.0810 HG12 :: 1.8000 HG21 :: 0.9700 HG22 :: 0.9700 HG23 :: 0.9700 HD11 :: 0.8430 HD12 :: 0.8430 HD13 :: 0.8430 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.2100 Ave N Shift Values>> N :: 121.46(4.28) 2.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.34 I 0.13 D 0.06 L 0.05 N 0.02 C Shift Assignments>> C :: 179.1800 CA :: 57.9400 CB :: 39.3000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2000 HA :: 4.4280 HB2 :: 2.6810 HB3 :: 2.8340 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.5300 Ave N Shift Values>> N :: 120.65(3.86) 2.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.14 K 0.13 Q 0.11 M 0.05 C Shift Assignments>> C :: 179.6500 CA :: 59.1300 CB :: 29.8200 CG :: 35.8000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2760 HA :: 4.1800 HB2 :: 2.2900 HG2 :: 2.5700 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.6300 Ave N Shift Values>> N :: 120.67(3.48) 2.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 178.2100 CA :: 57.8100 CB :: 41.5900 CG :: 26.7800 CD1 :: 24.4030 CD2 :: 24.2270 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6480 HA :: 3.9500 HB2 :: 1.7800 HG :: 0.9600 HD11 :: 0.4160 HD12 :: 0.4160 HD13 :: 0.4160 HD21 :: 0.5430 HD22 :: 0.5430 HD23 :: 0.5430 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.9500 Ave N Shift Values>> N :: 121.86(3.9) 2.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.24 G 0.01 C Shift Assignments>> C :: 179.0600 CA :: 61.0200 CB :: 32.2700 CG :: 26.3800 CD :: 29.2000 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.8230 HA :: 3.7700 HB2 :: 2.0100 HG2 :: 1.7000 HD2 :: 1.7400 HE2 :: 3.0400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.7600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.29 K 0.15 Q 0.09 R 0.01 C Shift Assignments>> C :: 178.1700 CA :: 59.3500 CB :: 28.5300 CG :: 35.8800 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1420 HA :: 4.1370 HB2 :: 2.1400 HG2 :: 2.4500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1200 Ave N Shift Values>> N :: 120.67(3.48) 2.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.1700 CB :: 68.6980 CG2 :: 22.6200 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.7660 HA :: 3.9130 HB :: 4.3850 HG21 :: 1.2410 HG22 :: 1.2410 HG23 :: 1.2410 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.5000 Ave N Shift Values>> N :: 115.42(4.75) 2.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.E118 2.E118 C Shift Assignments>> C :: 177.3500 CA :: 64.7500 CB :: 37.9050 CG1 :: 29.7800 CG2 :: 18.0300 CD1 :: 12.5800 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.8500 HA :: 3.3400 HB :: 1.9880 HG12 :: 1.6100 HG21 :: 0.7680 HG22 :: 0.7680 HG23 :: 0.7680 HD11 :: 0.7790 HD12 :: 0.7790 HD13 :: 0.7790 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.7900 Ave N Shift Values>> N :: 121.46(4.28) 2.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 K 0.22 I 0.2 Q 0.17 R 0.01 M 0.01 C Shift Assignments>> C :: 179.3300 CA :: 59.6100 CB :: 28.7300 CG :: 35.3000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2540 HA :: 3.6000 HB2 :: 2.2200 HG2 :: 2.4090 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.7900 Ave N Shift Values>> N :: 120.67(3.48) 2.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 K 0.21 Q 0.17 I 0.14 M 0.01 R 0.01 C Shift Assignments>> C :: 179.8700 CA :: 58.5600 CB :: 28.7800 CG :: 35.5500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.3470 HA :: 3.9950 HB2 :: 2.0850 HB3 :: 2.2860 HG2 :: 2.4460 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.3200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 172.6700 CA :: 47.4400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2110 HA2 :: 3.6970 HA3 :: 3.4700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9300 Ave N Shift Values>> N :: 109.67(3.87) 2.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.K35 2.R78 2.K35 2.R78 C Shift Assignments>> C :: 179.6200 CA :: 63.3010 CB :: 36.0400 CG1 :: 27.8600 CG2 :: 17.0900 CD1 :: 10.2820 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.8300 HA :: 3.5450 HB :: 1.6080 HG12 :: 1.0800 HG21 :: 0.5760 HG22 :: 0.5760 HG23 :: 0.5760 HD11 :: 0.2980 HD12 :: 0.2980 HD13 :: 0.2980 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.5700 Ave N Shift Values>> N :: 121.46(4.28) 2.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 K 0.23 Q 0.21 I 0.15 R 0.02 C Shift Assignments>> C :: 178.6900 CA :: 58.8900 CB :: 28.5300 CG :: 35.3000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3400 HA :: 3.9900 HB2 :: 2.0600 HG2 :: 2.4200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.9500 Ave N Shift Values>> N :: 120.67(3.48) 2.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.33 C Shift Assignments>> C :: 178.4600 CA :: 53.6000 CB :: 18.0600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5740 HA :: 4.1210 HB1 :: 1.5100 HB2 :: 1.5100 HB3 :: 1.5100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.5300 Ave N Shift Values>> N :: 123.23(3.54) 2.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.03 A 0.03 C Shift Assignments>> C :: 177.0400 CA :: 56.0500 CB :: 41.8400 CG :: 26.7800 CD1 :: 25.0200 CD2 :: 22.9300 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3350 HA :: 4.0460 HB2 :: 1.7590 HG :: 1.9000 HD11 :: 0.9600 HD12 :: 0.9600 HD13 :: 0.9600 HD21 :: 1.0950 HD22 :: 1.0950 HD23 :: 1.0950 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.9500 Ave N Shift Values>> N :: 121.86(3.9) 2.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.26 F 0.11 Y 0.1 L 0.09 HN Overlap>> 2.L128 2.L128 C Shift Assignments>> C :: 174.1800 CA :: 53.9200 CB :: 39.3480 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9600 HA :: 4.3140 HB2 :: 3.0360 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.7900 Ave N Shift Values>> N :: 120.65(3.86) 2.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.24 L 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.5000 CA :: 51.9700 CB :: 39.3700 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4650 HA :: 4.8900 HB2 :: 2.9000 HD21 :: 7.3370 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.0500 ND2 :: 112.7840 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 F 0.19 Y 0.17 N 0.15 L 0.15 I 0.01 K 0.01 C Shift Assignments>> C :: 177.0100 CA :: 55.3600 CB :: 39.9700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.8000 HA :: 4.5500 HB2 :: 2.8700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.0400 Ave N Shift Values>> N :: 120.65(3.86) 2.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.0600 CA :: 62.3000 CB :: 69.6800 CG2 :: 21.5390 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.5300 HA :: 4.4700 HB :: 4.3500 HG21 :: 1.2760 HG22 :: 1.2760 HG23 :: 1.2760 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.6400 Ave N Shift Values>> N :: 115.42(4.75) 2.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.0900 CA :: 60.7000 CB :: 37.7200 CG2 :: 16.9300 CD1 :: 12.6870 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.2100 HA :: 4.5100 HB :: 1.9500 HG12 :: 1.4930 HG21 :: 0.7930 HG22 :: 0.7930 HG23 :: 0.7930 HD11 :: 0.7810 HD12 :: 0.7810 HD13 :: 0.7810 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.3300 Ave N Shift Values>> N :: 121.46(4.28) 2.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.5700 CA :: 61.0100 CB :: 32.9900 CG1 :: 21.1000 CG2 :: 20.4300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4720 HA :: 4.2600 HB :: 1.4400 HG11 :: 0.8000 HG12 :: 0.8000 HG13 :: 0.8000 HG21 :: 0.6200 HG22 :: 0.6200 HG23 :: 0.6200 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.5400 Ave N Shift Values>> N :: 121.14(4.54) 2.H103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 173.1500 CA :: 53.5040 CB :: 32.8700 CD2 :: 120.4280 CE1 :: 139.4170 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.8310 HA :: 6.1570(S) HB2 :: 2.6450 HB3 :: 3.0410 HD2 :: 6.8350 HE1 :: 8.2230 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.8500 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.21 G 0.13 C Shift Assignments>> C :: 173.7200 CA :: 55.1700 CB :: 32.3200 CG :: 26.1900 CD :: 43.4000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1000 HA :: 4.4800 HB2 :: 2.0900 HG2 :: 1.6700 HD2 :: 3.1900 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.0800 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 2.V61 2.V61 C Shift Assignments>> C :: 174.6600 CA :: 60.6080 CB :: 69.8990 CG2 :: 23.3870 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.6990 HA :: 5.6960 HB :: 3.9240 HG21 :: 1.0550 HG22 :: 1.0550 HG23 :: 1.0550 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.6500 Ave N Shift Values>> N :: 115.42(4.75) 2.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.02 C Shift Assignments>> C :: 174.1500 CA :: 59.5700 CB :: 34.5000 CG1 :: 18.9000 CG2 :: 20.6000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1230 HA :: 4.5000 HB :: 1.4830 HG11 :: 0.4090 HG12 :: 0.4090 HG13 :: 0.4090 HG21 :: 0.3380 HG22 :: 0.3380 HG23 :: 0.3380 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.5900 Ave N Shift Values>> N :: 121.14(4.54) 2.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 2.S50 2.S50 C Shift Assignments>> C :: 174.0800 CA :: 61.0900 CB :: 69.7980 CG2 :: 21.9300 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2280 HA :: 4.9950 HB :: 4.0540 HG21 :: 1.2300 HG22 :: 1.2300 HG23 :: 1.2300 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.9800 Ave N Shift Values>> N :: 115.42(4.75) 2.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.04 C Shift Assignments>> C :: 173.8300 CA :: 58.7200 CB :: 35.0500 CG1 :: 21.6000 CG2 :: 19.7100 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8540 HA :: 4.8120 HB :: 1.6700 HG11 :: 0.8700 HG12 :: 0.8700 HG13 :: 0.8700 HG21 :: 0.7650 HG22 :: 0.7650 HG23 :: 0.7650 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.6300 Ave N Shift Values>> N :: 121.14(4.54) 2.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.29 R 0.09 K 0.09 N 0.08 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 176.7900 CA :: 52.2500 CB :: 42.3100 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9920 HA :: 5.1130 HB2 :: 2.8430 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.9100 Ave N Shift Values>> N :: 120.65(3.86) 2.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 K 0.02 C Shift Assignments>> C :: 174.9100 CA :: 57.7500 CB :: 41.3100 CD1 :: 25.0590 CD2 :: 25.3010 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4210 HA :: 3.9100 HB2 :: 1.8400 HD11 :: 1.0960 HD12 :: 1.0960 HD13 :: 1.0960 HD21 :: 1.1340 HD22 :: 1.1340 HD23 :: 1.1340 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6900 Ave N Shift Values>> N :: 121.86(3.9) 2.E111 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 Q 0.24 I 0.02 C Shift Assignments>> C :: 179.0800 CA :: 60.8730 CB :: 34.3390 CG :: 32.4690 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3200 HA :: 4.0900 HB2 :: 2.1190 HB3 :: 2.1730 HG2 :: 2.6100 HG3 :: 2.8000 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.0800 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CG > CB : 0.9917) 2.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.21 K 0.18 E 0.16 Q 0.14 H 0.12 R 0.1 M 0.02 V 0.02 L 0.01 C Shift Assignments>> CA :: 59.5030 CB :: 28.8590 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HB2 :: 1.7060 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 2.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 K 0.13 E 0.11 Q 0.09 H 0.08 R 0.07 P 0.04 V 0.02 L 0.01 M 0.01 C Shift Assignments>> CA :: 60.4770 CB :: 28.5320 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9590 HA :: 3.9530 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.6200 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 Y 0.21 N 0.16 F 0.14 M 0.08 I 0.04 D 0.03 K 0.02 L 0.01 C Shift Assignments>> C :: 178.3300 CA :: 55.8600 CB :: 37.2200 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2660 HA :: 4.3200 HB2 :: 2.7330 HB3 :: 2.8350 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.4300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.16 C Shift Assignments>> CA :: 58.0600 CB :: 31.7600 CG :: 25.1900 CD :: 29.1100 CE :: 41.6400 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7800 HA :: 3.8500 HB2 :: 1.8100 HG2 :: 1.7500 HD2 :: 1.6900 HE2 :: 2.9900 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.6100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.21 I 0.07 C Shift Assignments>> C :: 180.2200 CA :: 55.8300 CB :: 17.5700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1910 HA :: 3.0720 HB1 :: 1.2000 HB2 :: 1.2000 HB3 :: 1.2000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0000 Ave N Shift Values>> N :: 123.23(3.54) 2.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 G 0.01 C Shift Assignments>> C :: 182.1300 CA :: 58.6000 CB :: 41.8100 CG :: 26.7800 CD1 :: 24.7700 CD2 :: 23.0120 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1800 HA :: 3.9760 HB2 :: 1.7700 HG :: 1.5300 HD11 :: 0.9500 HD12 :: 0.9500 HD13 :: 0.9500 HD21 :: 0.7380 HD22 :: 0.7380 HD23 :: 0.7380 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.3500 Ave N Shift Values>> N :: 121.86(3.9) 2.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.21 K 0.13 Q 0.06 M 0.02 HN Overlap>> 2.I89 2.I89 C Shift Assignments>> C :: 177.1100 CA :: 58.9100 CB :: 29.3200 CG :: 36.2100 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7490 HA :: 3.9720 HB2 :: 2.1260 HG2 :: 2.3720 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.7900 Ave N Shift Values>> N :: 120.67(3.48) 2.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.21 L 0.19 F 0.09 Y 0.07 K 0.04 C Shift Assignments>> C :: 172.2300 CA :: 53.7300 CB :: 40.6600 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.3300 HA :: 4.5800 HB2 :: 2.7700 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.6300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.26 Q 0.11 K 0.09 R 0.03 L 0.01 C Shift Assignments>> C :: 173.2100 CA :: 57.0900 CB :: 27.0500 CG :: 36.2100 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9340 HA :: 3.6800 HB2 :: 2.1600 HG2 :: 2.2270 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.7300 Ave N Shift Values>> N :: 120.67(3.48) 2.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.13 A 0.02 C Shift Assignments>> C :: 175.4600 CA :: 52.4400 CB :: 47.1300 CD1 :: 26.8760 CD2 :: 24.7890 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7930 HA :: 4.7300 HB2 :: 1.5000 HD11 :: 0.7160 HD12 :: 0.7160 HD13 :: 0.7160 HD21 :: 0.8470 HD22 :: 0.8470 HD23 :: 0.8470 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.2100 Ave N Shift Values>> N :: 121.86(3.9) 2.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.2400 CB :: 64.8210 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1970 HA :: 4.2330 HB2 :: 4.2900 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.4900 Ave N Shift Values>> N :: 116.28(3.52) 2.M123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 I 0.01 C Shift Assignments>> CA :: 59.3500 CB :: 33.2100 CG :: 31.5000 CE :: 16.5630 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.5700 HA :: 3.8800 HB2 :: 2.0300 HG2 :: 2.5900 HE1 :: 2.1670 HE2 :: 2.1670 HE3 :: 2.1670 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.3400 Ave N Shift Values>> N :: 120.09(3.57) 2.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 P 0.14 A 0.08 L 0.03 N 0.02 C Shift Assignments>> CA :: 47.8500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.0900 HA2 :: 3.6700 HA3 :: 3.9300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.0900 Ave N Shift Values>> N :: 109.67(3.87) 2.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.25 G 0.01 C Shift Assignments>> CA :: 60.9800 CB :: 32.2000 CG :: 26.1100 CD :: 41.7300 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0200 HA :: 3.7700 HB2 :: 2.0000 HG2 :: 1.7100 HD2 :: 3.1200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.5200 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Y126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.9800 CA :: 61.3900 CB :: 38.7100 CD1 :: 134.2510 CE1 :: 117.9300 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.3850 HA :: 4.1700 HB2 :: 2.8800 HD1 :: 6.8930 HE1 :: 6.4970 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.4700 Ave N Shift Values>> N :: 120.52(4.2) 2.Y127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 2.V144 2.V144 C Shift Assignments>> C :: 177.4600 CA :: 62.1400 CB :: 37.5500 CD1 :: 133.5560 CE1 :: 118.1300 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.0430 HA :: 3.8700 HB2 :: 3.3000 HD1 :: 6.9000 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.1300 Ave N Shift Values>> N :: 120.52(4.2) 2.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.05 A 0.02 HN Overlap>> 2.D97 2.D97 C Shift Assignments>> C :: 179.8700 CA :: 57.8400 CB :: 41.4300 CG :: 26.8600 CD1 :: 25.7660 CD2 :: 21.9300 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8820 HA :: 3.9260 HB2 :: 1.3200 HG :: 1.7300 HD11 :: 0.7780 HD12 :: 0.7780 HD13 :: 0.7780 HD21 :: 0.8650 HD22 :: 0.8650 HD23 :: 0.8650 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.7100 Ave N Shift Values>> N :: 121.86(3.9) 2.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.2800 CA :: 60.9200 CB :: 37.1200 CD1 :: 133.6620 CE1 :: 117.6900 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.8400 HA :: 3.9420 HB2 :: 3.3500 HD1 :: 6.5770 HE1 :: 6.6970 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.3000 Ave N Shift Values>> N :: 120.52(4.2) 2.L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.07 C Shift Assignments>> C :: 180.4800 CA :: 57.4300 CB :: 41.0000 CG :: 25.6100 CD1 :: 25.3220 CD2 :: 21.5440 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0000 HA :: 3.3700 HB2 :: 1.6460 HG :: 1.2500 HD11 :: 0.7440 HD12 :: 0.7440 HD13 :: 0.7440 HD21 :: 0.6370 HD22 :: 0.6370 HD23 :: 0.6370 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.4400 Ave N Shift Values>> N :: 121.86(3.9) 2.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.36 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> C :: 178.3600 CA :: 59.1000 CB :: 29.3600 CG :: 36.9880 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2650 HA :: 3.7000 HB2 :: 1.7950 HG2 :: 2.0020 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.0800 Ave N Shift Values>> N :: 120.67(3.48) 2.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.03 C Shift Assignments>> C :: 180.0000 CA :: 54.9500 CB :: 18.2200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8280 HA :: 3.9800 HB1 :: 1.4100 HB2 :: 1.4100 HB3 :: 1.4100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2700 Ave N Shift Values>> N :: 123.23(3.54) 2.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.43 C Shift Assignments>> C :: 181.3800 CA :: 58.2800 CB :: 30.6600 CG :: 23.3500 CD :: 27.6100 CE :: 41.2300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0400 HA :: 3.9700 HB2 :: 1.5300 HG2 :: 1.0300 HD2 :: 1.4700 HE2 :: 2.9300 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.2600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 K 0.23 Q 0.19 I 0.13 R 0.01 M 0.01 C Shift Assignments>> C :: 178.0800 CA :: 58.7800 CB :: 28.8200 CG :: 35.3800 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0520 HA :: 3.9700 HB2 :: 2.0680 HG2 :: 2.2750 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.7500 Ave N Shift Values>> N :: 120.67(3.48) 2.K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.2 C Shift Assignments>> C :: 176.5800 CA :: 56.5200 CB :: 32.7600 CG :: 25.4300 CD :: 29.4400 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.4080 HA :: 4.2600 HB2 :: 1.9900 HG2 :: 1.5600 HD2 :: 1.7300 HE2 :: 3.0400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.7300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.7200 CA :: 45.4000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8080 HA2 :: 3.7370 HA3 :: 4.1380 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3800 Ave N Shift Values>> N :: 109.67(3.87) 2.M137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.26 C Shift Assignments>> C :: 175.6500 CA :: 55.3900 CB :: 32.2900 CG :: 32.3300 CE :: 17.3810 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.8360 HA :: 4.2890 HB2 :: 1.6900 HB3 :: 1.8600 HG2 :: 2.4370 HG3 :: 2.4790 HE1 :: 2.0650 HE2 :: 2.0650 HE3 :: 2.0650 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.2400 Ave N Shift Values>> N :: 120.09(3.57) 2.D138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.32 L 0.12 F 0.1 Y 0.09 HN Overlap>> 2.V3 2.V3 C Shift Assignments>> C :: 174.5200 CA :: 53.7600 CB :: 39.8700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5940 HA :: 4.6300 HB2 :: 2.7200 HB3 :: 2.5260 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.7400 Ave N Shift Values>> N :: 120.65(3.86) 2.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.6500 CA :: 59.5700 CB :: 40.8600 CG1 :: 28.4500 CG2 :: 14.6200 CD1 :: 15.9200 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.3680 HA :: 4.6550 HB :: 1.6400 HG12 :: 1.3000 HG21 :: 0.7900 HG22 :: 0.7900 HG23 :: 0.7900 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.0800 Ave N Shift Values>> N :: 121.46(4.28) 2.T140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.V21 1.V21 C Shift Assignments>> C :: 175.4400 CA :: 59.6900 CB :: 72.4600 CG2 :: 21.7640 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9730 HA :: 4.9490 HB :: 4.6870 HG21 :: 1.3080 HG22 :: 1.3080 HG23 :: 1.3080 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.1800 Ave N Shift Values>> N :: 115.42(4.75) 2.I141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.6200 CA :: 63.1200 CB :: 36.2900 CG1 :: 27.8600 CG2 :: 17.1700 CD1 :: 10.3200 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.6840 HA :: 3.3730 HB :: 1.7480 HG12 :: 1.1300 HG21 :: 0.8000 HG22 :: 0.8000 HG23 :: 0.8000 HD11 :: 0.2500 HD12 :: 0.2500 HD13 :: 0.2500 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.9500 Ave N Shift Values>> N :: 121.46(4.28) 2.D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.27 L 0.12 D 0.1 I 0.07 K 0.07 N 0.01 C Shift Assignments>> C :: 179.0200 CA :: 57.6800 CB :: 40.4900 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1330 HA :: 4.2900 HB2 :: 2.5900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.0400 Ave N Shift Values>> N :: 120.65(3.86) 2.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.18 K 0.17 Q 0.12 M 0.02 HN Overlap>> 2.L30 2.L30 C Shift Assignments>> C :: 179.7400 CA :: 58.9700 CB :: 29.1100 CG :: 35.8000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7850 HA :: 4.0400 HB2 :: 2.2710 HG2 :: 2.5660 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.8600 Ave N Shift Values>> N :: 120.67(3.48) 2.V144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.Y127 2.Y127 C Shift Assignments>> C :: 177.1600 CA :: 65.4400 CB :: 30.8300 CG1 :: 23.6000 CG2 :: 22.4950 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9710 HA :: 3.7400 HB :: 2.2733 HG11 :: 1.1600 HG12 :: 1.1600 HG13 :: 1.1600 HG21 :: 0.9860 HG22 :: 0.9860 HG23 :: 0.9860 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2100 Ave N Shift Values>> N :: 121.14(4.54) 2.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.26 C Shift Assignments>> C :: 177.6400 CA :: 59.8800 CB :: 33.2400 CG :: 26.2700 CD :: 29.3600 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1790 HA :: 3.8500 HB2 :: 2.0000 HG2 :: 1.6000 HD2 :: 1.7500 HE2 :: 3.1000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.2300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9600 CA :: 58.7500 CB :: 64.3500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4640 HA :: 4.5300 HB2 :: 3.9030 HB3 :: 4.0080 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.4400 Ave N Shift Values>> N :: 116.28(3.52) 2.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7300 CA :: 59.3500 CB :: 64.4700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4450 HA :: 4.5300 HB2 :: 3.8010 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.4600 Ave N Shift Values>> N :: 116.28(3.52) 2.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.22 C Shift Assignments>> C :: 178.7700 CA :: 56.5500 CB :: 32.3700 CG :: 25.6800 CD :: 28.7000 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.1820 HA :: 4.3600 HB2 :: 1.9450 HG2 :: 1.4420 HD2 :: 1.7090 HE2 :: 2.9200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.3100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.6500 CA :: 63.5600 CB :: 37.1170 CG1 :: 27.1100 CG2 :: 18.8100 CD1 :: 12.3400 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.0150 HA :: 3.7500 HB :: 1.9560 HG12 :: 1.3040 HG13 :: 1.5600 HG21 :: 0.8800 HG22 :: 0.8800 HG23 :: 0.8800 HD11 :: 0.7080 HD12 :: 0.7080 HD13 :: 0.7080 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.0200 Ave N Shift Values>> N :: 121.46(4.28) 2.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.7900 CB :: 61.9200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6070 HA :: 3.4780 HB2 :: 3.8830 HB3 :: 4.0420 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.4200 Ave N Shift Values>> N :: 116.28(3.52) 2.D151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 F 0.2 Y 0.16 K 0.11 N 0.04 I 0.02 C Shift Assignments>> C :: 176.9200 CA :: 56.1800 CB :: 40.8300 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.9900 HA :: 4.4900 HB2 :: 2.7800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.5600 Ave N Shift Values>> N :: 120.65(3.86) 2.L152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 G 0.3 A 0.04 C Shift Assignments>> C :: 177.1100 CA :: 55.3600 CB :: 44.1140 CG :: 27.6850 CD1 :: 23.5500 CD2 :: 22.9460 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.2940 HA :: 4.2480 HB2 :: 1.5130 HB3 :: 1.7740 HG :: 1.0490 HD11 :: 0.8570 HD12 :: 0.8570 HD13 :: 0.8570 HD21 :: 0.7910 HD22 :: 0.7910 HD23 :: 0.7910 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.1100 Ave N Shift Values>> N :: 121.86(3.9) 2.I153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.7300 CA :: 62.0200 CB :: 39.1500 CG1 :: 28.0300 CG2 :: 17.0000 CD1 :: 13.5800 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.4600 HA :: 3.8890 HB :: 1.4020 HG12 :: 0.9610 HG13 :: 1.3110 HG21 :: 0.5600 HG22 :: 0.5600 HG23 :: 0.5600 HD11 :: 0.4850 HD12 :: 0.4850 HD13 :: 0.4850 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.3300 Ave N Shift Values>> N :: 121.46(4.28) 2.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.16 Q 0.1 I 0.06 M 0.05 C Shift Assignments>> C :: 175.3400 CA :: 56.1900 CB :: 29.4000 CG :: 36.2900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9650 HA :: 4.2000 HB2 :: 2.0700 HG2 :: 2.2500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.3800 Ave N Shift Values>> N :: 120.67(3.48) 2.K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.11 C Shift Assignments>> C :: 181.2000 CA :: 57.9400 CB :: 33.2500 CG :: 24.9400 CD :: 28.7800 CE :: 41.5600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.5180 HA :: 4.0500 HB2 :: 1.7700 HG2 :: 1.4100 HD2 :: 1.6200 HE2 :: 2.9100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.2600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 169 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 173 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 175 #Suspicious: 2 C Shift Results: #Consistent: 710 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent:1009 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 177 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S18 HA = 5.8330(S), Expected = 4.48, Std = 0.4000, ChiSquare = 7.1829e-04 1.D20 HA = 5.6980(S), Expected = 4.59, Std = 0.3200, ChiSquare = 5.3518e-04 1.N22 C = 182.8300(A), Expected = 175.27, Std = 1.7900, ChiSquare = 2.4058e-05 2.P1 HA = 1.2630(A), Expected = 4.40, Std = 0.3300, ChiSquare = 1.9802e-21 2.P1 HD2 = 2.4380(S), Expected = 3.65, Std = 0.3500, ChiSquare = 5.3447e-04 2.P1 SRO Rule Break>> HA > HB2 : 1 2.I54 CG1 = 33.8100(S), Expected = 27.71, Std = 1.6800, ChiSquare = 2.8238e-04 2.S64 HA = 5.8280(S), Expected = 4.48, Std = 0.4000, ChiSquare = 7.5168e-04 2.H103 HA = 6.1570(S), Expected = 4.61, Std = 0.4300, ChiSquare = 3.2108e-04 2.E111 SRO Rule Break>> CG > CB : 0.99165623696287